{"id":18260,"npaid":"NPA018260","original_name":"Emericellamide A","mol_formula":"C31H55N5O7","mol_weight":"609.8090","exact_mass":"609.4101","inchikey":"QURRTAYEASAREY-OOVPVTRWSA-N","smiles":"CCCCCC[C@H](C)[C@@H]1[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O1)C)C)CC(C)C)C(C)C)C","cluster_id":26,"node_id":25,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C31H55N5O7/c1-10-11-12-13-14-19(6)26-20(7)27(38)32-16-24(37)36-25(18(4)5)30(41)35-23(15-17(2)3)29(40)33-21(8)28(39)34-22(9)31(42)43-26/h17-23,25-26H,10-16H2,1-9H3,(H,32,38)(H,33,40)(H,34,39)(H,35,41)(H,36,37)/t19-,20+,21-,22-,23-,25-,26+/m0/s1","m_plus_h":"610.4174","m_plus_na":"632.3993","origin_reference":{"doi":"10.1021/np060381f","pmid":17323993,"authors":"Oh, Dong-Chan; Kauffman, Christopher A.; Jensen, Paul R.; Fenical, William","title":"Induced production of emericellamides A and B from the marine-derived fungus Emericella sp. in competing co-culture","journal":"Journal of Natural Products","year":2007,"volume":"70","issue":"4","pages":"515-520"},"origin_organism":{"id":4138,"type":"Fungus","genus":"Emericella","species":"sp.","taxon":{"id":1244,"name":"Emericella","rank":"genus","taxon_db":"mycobank","external_id":"1772","ncbi_id":5071,"ancestors":[{"id":599,"name":"Eukarya","rank":"domain","taxon_db":"mycobank","external_id":"0","ncbi_id":2759},{"id":600,"name":"Fungi","rank":"kingdom","taxon_db":"mycobank","external_id":"90157","ncbi_id":4751},{"id":617,"name":"Ascomycota","rank":"phylum","taxon_db":"mycobank","external_id":"90031","ncbi_id":4890},{"id":1212,"name":"Eurotiomycetes","rank":"class","taxon_db":"mycobank","external_id":"501483","ncbi_id":147545},{"id":1235,"name":"Eurotiales","rank":"order","taxon_db":"mycobank","external_id":"90472","ncbi_id":5042},{"id":1240,"name":"Trichocomaceae","rank":"family","taxon_db":"mycobank","external_id":"81485","ncbi_id":28568}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1021/np060381f","structure_smiles":"CCCCCC[C@H](C)[C@@H]1[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O1)C)C)CC(C)C)C(C)C)C","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"mibig","external_db_code":"BGC0001290"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012107227%Suspect related to Emericellamide A (predicted molecular formula SIRIUS: C33H62N6O7 / BUDDY: C38H62N4O5) with delta m/z 45.058 (putative explanation: unspecified; atomic difference: 2C,7H,1N) [M+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012107237%Suspect related to Emericellamide A (predicted molecular formula SIRIUS: C30H59N13O4 / BUDDY: C45H63NO3) with delta m/z 56.069 (putative explanation: unspecified; atomic difference: unspecified) [M+Na]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012107238%Suspect related to Emericellamide A (predicted molecular formula SIRIUS: C32H61N11O5 / BUDDY: C42H65NO6) with delta m/z 70.078 (putative explanation: Labeling transglutaminase substrate on glutamine side chain|unspecified; atomic difference: 5C,10H|5C,10H) [M+Na]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009947014%Suspect related to Emericellamide A (predicted molecular formula: C28H49N5O7) with delta m/z -42.047 (putative explanation: Deisopropylation, depropylation, dealkylation|Leu/Ile->Ala substitution|Val->Gly substitution; atomic difference: -3C,-6H|-3C,-6H|-3C,-6H)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009947015%Suspect related to Emericellamide A (predicted molecular formula: C30H51N5O7) with delta m/z -16.031 (putative explanation: Leu/Ile->Pro substitution; atomic difference: -1C,-4H)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009947016%Suspect related to Emericellamide A (predicted molecular formula: C35H53N3O5) with delta m/z -14.007 (putative explanation: unspecified; atomic difference: unspecified)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009947017%Suspect related to Emericellamide A (predicted molecular formula: C31H53N5O7) with delta m/z -2.016 (putative explanation: 2-amino-3-oxo-butanoic_acid|Intact disulfide bridge|Val->Pro substitution; atomic difference: -2H|-2H|-2H)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009947018%Suspect related to Emericellamide A (predicted molecular formula: C30H53N5O8) with delta m/z 1.979 (putative explanation: Val->Thr substitution|Demethylation+hydroxylation (on same or differing sites); atomic difference: -1C,-2H,1O|1O,-1C,-2H)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009947019%Suspect related to Emericellamide A (predicted molecular formula: C37H57N3O5) with delta m/z 14.016 (putative explanation: Asn->Gln substitution|Asp->Glu substitution|Gly->Ala substitution|Methylation|Ser->Thr substitution|Val->Leu/Ile substitution|chain elongation; atomic difference: 1C,2H|1C,2H|1C,2H|1C,2H|1C,2H|1C,2H|1C,2H)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009947020%Suspect related to Emericellamide A (predicted molecular formula: C31H58N6O7) with delta m/z 17.027 (putative explanation: replacement of proton with ammonium ion; atomic difference: 3H,1N)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009947021%Suspect related to Emericellamide A (predicted molecular formula: C33H57N5O7) with delta m/z 26.016 (putative explanation: Acetaldehyde +26|Ala->Pro substitution|unspecified; atomic difference: 2C,2H|2C,2H|2C,2H)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009947022%Suspect related to Emericellamide A (predicted molecular formula: C33H59N5O7) with delta m/z 28.031 (putative explanation: Acetaldehyde +28|Ala->Val substitution|Cys->Met substitution|Ethylation|di-Methylation; atomic difference: 2C,4H|2C,4H|2C,4H|2C,4H|2C,4H)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009947023%Suspect related to Emericellamide A (predicted molecular formula: C33H59N5O7) with delta m/z 28.04 (putative explanation: Gln->Arg substitution; atomic difference: 1C,4H,2N,-1O)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009947024%Suspect related to Emericellamide A (predicted molecular formula: C33H62N6O7) with delta m/z 45.058 (putative explanation: unspecified; atomic difference: 2C,7H,1N)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009947025%Suspect related to Emericellamide A (predicted molecular formula: C19H47N15O6) with delta m/z -28.031 (putative explanation: Desethylation, didemethylation, dealkylation|Met->Cys substitution|Val->Ala substitution; atomic difference: -2C,-4H|-2C,-4H|-2C,-4H)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009947026%Suspect related to Emericellamide A (predicted molecular formula: C30H53N5O7) with delta m/z -14.016 (putative explanation: Ala->Gly substitution|Gln->Asn substitution|Glu->Asp substitution|Leu/Ile->Val substitution|Thr->Ser substitution; atomic difference: -1C,-2H|-1C,-2H|-1C,-2H|-1C,-2H|-1C,-2H)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009947027%Suspect related to Emericellamide A (predicted molecular formula: C35H53N3O5) with delta m/z -14.007 (putative explanation: unspecified; atomic difference: unspecified)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009947028%Suspect related to Emericellamide A (predicted molecular formula: C31H53N5O7) with delta m/z -2.016 (putative explanation: 2-amino-3-oxo-butanoic_acid|Intact disulfide bridge|Val->Pro substitution; atomic difference: -2H|-2H|-2H)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009947029%Suspect related to Emericellamide A (predicted molecular formula: C33H53N9O3) with delta m/z 14.016 (putative explanation: Asn->Gln substitution|Asp->Glu substitution|Gly->Ala substitution|Methylation|Ser->Thr substitution|Val->Leu/Ile substitution|chain elongation; atomic difference: 1C,2H|1C,2H|1C,2H|1C,2H|1C,2H|1C,2H|1C,2H)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009947030%Suspect related to Emericellamide A (predicted molecular formula: C29H55N11O5) with delta m/z 28.031 (putative explanation: Acetaldehyde +28|Ala->Val substitution|Cys->Met substitution|Ethylation|di-Methylation; atomic difference: 2C,4H|2C,4H|2C,4H|2C,4H|2C,4H)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009947031%Suspect related to Emericellamide A (predicted molecular formula: C38H59N3O5) with delta m/z 28.04 (putative explanation: Gln->Arg substitution; atomic difference: 1C,4H,2N,-1O)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009947032%Suspect related to Emericellamide A (predicted molecular formula: C24H57N15O6) with delta m/z 42.047 (putative explanation: Ala->Leu/Ile substitution|Gly->Val substitution|Propyl|tri-Methylation|unspecified; atomic difference: 3C,6H|3C,6H|3C,6H|3C,6H|3C,H6)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009947033%Suspect related to Emericellamide A (predicted molecular formula: C35H63N5O7) with delta m/z 56.062 (putative explanation: Diethylation, analogous to Dimethylation|Gly->Leu/Ile substitution; atomic difference: 4C,8H|4C,8H)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009947034%Suspect related to Emericellamide A (predicted molecular formula: C30H59N13O4) with delta m/z 56.069 (putative explanation: unspecified; atomic difference: unspecified)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009947035%Suspect related to Emericellamide A (predicted molecular formula: C32H61N11O5) with delta m/z 70.078 (putative explanation: Labeling transglutaminase substrate on glutamine side chain|unspecified; atomic difference: 5C,10H|5C,10H)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012107217%Suspect related to Emericellamide A (predicted molecular formula SIRIUS: C28H49N5O7 / BUDDY: C33H49N3O5) with delta m/z -42.047 (putative explanation: Deisopropylation, depropylation, dealkylation|Leu/Ile->Ala substitution|Val->Gly substitution; atomic difference: -3C,-6H|-3C,-6H|-3C,-6H) [M+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012107218%Suspect related to Emericellamide A (predicted molecular formula SIRIUS: C30H51N5O7 / BUDDY: C35H51N3O5) with delta m/z -16.031 (putative explanation: Leu/Ile->Pro substitution; atomic difference: -1C,-4H) [M+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012107219%Suspect related to Emericellamide A (predicted molecular formula SIRIUS: C35H53N3O5 / BUDDY: C40H53NO3) with delta m/z -14.007 (putative explanation: unspecified; atomic difference: unspecified) [M+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012107220%Suspect related to Emericellamide A (predicted molecular formula SIRIUS: C31H53N5O7 / BUDDY: C36H53N3O5) with delta m/z -2.016 (putative explanation: 2-amino-3-oxo-butanoic_acid|Intact disulfide bridge|Val->Pro substitution; atomic difference: -2H|-2H|-2H) [M+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012107221%Suspect related to Emericellamide A (predicted molecular formula SIRIUS: C30H53N5O8 / BUDDY: C35H53N3O6) with delta m/z 1.979 (putative explanation: Val->Thr substitution|Demethylation+hydroxylation (on same or differing sites); atomic difference: -1C,-2H,1O|1O,-1C,-2H) [M+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012107222%Suspect related to Emericellamide A (predicted molecular formula SIRIUS: C37H57N3O5 / BUDDY: C42H57NO3) with delta m/z 14.016 (putative explanation: Asn->Gln substitution|Asp->Glu substitution|Gly->Ala substitution|Methylation|Ser->Thr substitution|Val->Leu/Ile substitution|chain elongation; atomic difference: 1C,2H|1C,2H|1C,2H|1C,2H|1C,2H|1C,2H|1C,2H) [M+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012107223%Suspect related to Emericellamide A (predicted molecular formula SIRIUS: C31H58N6O7 / BUDDY: C36H58N4O5) with delta m/z 17.027 (putative explanation: replacement of proton with ammonium ion; atomic difference: 3H,1N) [M+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012107224%Suspect related to Emericellamide A (predicted molecular formula SIRIUS: C33H57N5O7 / BUDDY: C38H57N3O5) with delta m/z 26.016 (putative explanation: Acetaldehyde +26|Ala->Pro substitution|unspecified; atomic difference: 2C,2H|2C,2H|2C,2H) [M+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012107225%Suspect related to Emericellamide A (predicted molecular formula SIRIUS: C33H59N5O7 / BUDDY: C39H59NO6) with delta m/z 28.031 (putative explanation: Acetaldehyde +28|Ala->Val substitution|Cys->Met substitution|Ethylation|di-Methylation; atomic difference: 2C,4H|2C,4H|2C,4H|2C,4H|2C,4H) [M+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012107226%Suspect related to Emericellamide A (predicted molecular formula SIRIUS: C33H59N5O7 / BUDDY: C43H59NO3) with delta m/z 28.04 (putative explanation: Gln->Arg substitution; atomic difference: 1C,4H,2N,-1O) [M+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00000001606%Emericellamide A%1!CCMSLIB00000001607%Emericellamide A%1!CCMSLIB00000577745%emericellamide_A_18085_dereplictor_pv_5.31395e-14%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012107228%Suspect related to Emericellamide A (predicted molecular formula SIRIUS: C19H47N15O6 / BUDDY: C34H51N3O5) with delta m/z -28.031 (putative explanation: Desethylation, didemethylation, dealkylation|Met->Cys substitution|Val->Ala substitution; atomic difference: -2C,-4H|-2C,-4H|-2C,-4H) [M+Na]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012107229%Suspect related to Emericellamide A (predicted molecular formula SIRIUS: C30H53N5O7 / BUDDY: C35H53N3O5) with delta m/z -14.016 (putative explanation: Ala->Gly substitution|Gln->Asn substitution|Glu->Asp substitution|Leu/Ile->Val substitution|Thr->Ser substitution; atomic difference: -1C,-2H|-1C,-2H|-1C,-2H|-1C,-2H|-1C,-2H) [M+Na]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012107230%Suspect related to Emericellamide A (predicted molecular formula SIRIUS: C35H53N3O5 / BUDDY: C35H53N3O5) with delta m/z -14.007 (putative explanation: unspecified; atomic difference: unspecified) [M+Na]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012107231%Suspect related to Emericellamide A (predicted molecular formula SIRIUS: C31H53N5O7 / BUDDY: C30H57NO11) with delta m/z -2.016 (putative explanation: 2-amino-3-oxo-butanoic_acid|Intact disulfide bridge|Val->Pro substitution; atomic difference: -2H|-2H|-2H) [M+Na]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012107232%Suspect related to Emericellamide A (predicted molecular formula SIRIUS: C33H53N9O3 / BUDDY: C42H57NO3) with delta m/z 14.016 (putative explanation: Asn->Gln substitution|Asp->Glu substitution|Gly->Ala substitution|Methylation|Ser->Thr substitution|Val->Leu/Ile substitution|chain elongation; atomic difference: 1C,2H|1C,2H|1C,2H|1C,2H|1C,2H|1C,2H|1C,2H) [M+Na]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012107233%Suspect related to Emericellamide A (predicted molecular formula SIRIUS: C29H55N11O5 / BUDDY: C39H59NO6) with delta m/z 28.031 (putative explanation: Acetaldehyde +28|Ala->Val substitution|Cys->Met substitution|Ethylation|di-Methylation; atomic difference: 2C,4H|2C,4H|2C,4H|2C,4H|2C,4H) [M+Na]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012107234%Suspect related to Emericellamide A (predicted molecular formula SIRIUS: C38H59N3O5 / BUDDY: C43H59NO3) with delta m/z 28.04 (putative explanation: Gln->Arg substitution; atomic difference: 1C,4H,2N,-1O) [M+Na]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012107235%Suspect related to Emericellamide A (predicted molecular formula SIRIUS: C24H57N15O6 / BUDDY: C40H61NO6) with delta m/z 42.047 (putative explanation: Ala->Leu/Ile substitution|Gly->Val substitution|Propyl|tri-Methylation|unspecified; atomic difference: 3C,6H|3C,6H|3C,6H|3C,6H|3C,H6) [M+Na]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012107236%Suspect related to Emericellamide A (predicted molecular formula SIRIUS: C35H63N5O7 / BUDDY: C34H67NO11) with delta m/z 56.062 (putative explanation: Diethylation, analogous to Dimethylation|Gly->Leu/Ile substitution; atomic difference: 4C,8H|4C,8H) [M+Na]+%4"},{"external_db_name":"npmrd","external_db_code":"NP0006948"},{"external_db_name":"cmmc","external_db_code":"https://cmmc-kb.gnps2.org/structurepage/?inchikey=QURRTAYEASAREY-OOVPVTRWSA-N"}],"classyfire":{"class":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001813","name":"Peptidomimetics","chemont_id":"CHEMONTID:0001813","description":"Compounds containing non-peptidic structural elements that is capable of mimicking or antagonizing the biological action(s) of a natural parent peptide."},"smiles":"CCCCCC[C@H](C)[C@H]1OC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H]1C)C(C)C","kingdom":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000000","name":"Organic compounds","chemont_id":"CHEMONTID:0000000","description":"Compounds that contain at least one carbon atom, excluding isocyanide/cyanide and their non-hydrocarbyl derivatives, thiophosgene, carbon diselenide, carbon monosulfide, carbon disulfide, carbon subsulfide, carbon monoxide, carbon dioxide, Carbon suboxide, and dicarbon monoxide."},"inchikey":"InChIKey=QURRTAYEASAREY-OOVPVTRWSA-N","subclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001961","name":"Depsipeptides","chemont_id":"CHEMONTID:0001961","description":"Natural or synthetic compounds having sequences of amino and hydroxy carboxylic acid residues (usually α-amino and α-hydroxy acids), commonly but not necessarily regularly alternating."},"ancestors":["Alpha amino acid esters","Alpha amino acids and derivatives","Amino acids and derivatives","Amino acids, peptides, and analogues","Azacyclic compounds","Carbonyl compounds","Carboxylic acid amides","Carboxylic acid derivatives","Carboxylic acid esters","Carboxylic acids and derivatives","Chemical entities","Cyclic depsipeptides","Depsipeptides","Hydrocarbon derivatives","Lactams","Lactones","Macrolactams","Macrolide lactams","Macrolides and analogues","Monocarboxylic acids and derivatives","Organic acids and derivatives","Organic compounds","Organic nitrogen compounds","Organic oxides","Organic oxygen compounds","Organoheterocyclic compounds","Organonitrogen compounds","Organooxygen compounds","Organopnictogen compounds","Oxacyclic compounds","Peptidomimetics","Phenylpropanoids and polyketides","Secondary carboxylic acid amides"],"superclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000264","name":"Organic acids and derivatives","chemont_id":"CHEMONTID:0000264","description":"Compounds an organic acid or a derivative thereof."},"description":"This compound belongs to the class of organic compounds known as cyclic depsipeptides. These are natural or synthetic compounds having sequences of amino and hydroxy carboxylic acid residues (usually α-amino and α-hydroxy acids) connected in a ring. The residues are commonly but not necessarily regularly alternating.","substituents":["Cyclic depsipeptide","Macrolide lactam","Alpha-amino acid ester","Macrolactam","Macrolide","Alpha-amino acid or derivatives","Carboxamide group","Carboxylic acid ester","Lactam","Lactone","Secondary carboxylic acid amide","Monocarboxylic acid or derivatives","Oxacycle","Carboxylic acid derivative","Organoheterocyclic compound","Azacycle","Hydrocarbon derivative","Organic oxide","Carbonyl group","Organic oxygen compound","Organopnictogen compound","Organic nitrogen compound","Organonitrogen compound","Organooxygen compound","Aliphatic heteromonocyclic compound"],"direct_parent":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001994","name":"Cyclic depsipeptides","chemont_id":"CHEMONTID:0001994","description":"Natural or synthetic compounds having sequences of amino and hydroxy carboxylic acid residues (usually α-amino and α-hydroxy acids) connected in a ring. The residues are commonly but not necessarily regularly alternating."},"intermediate_nodes":[],"alternative_parents":[{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001900","name":"Macrolide lactams","chemont_id":"CHEMONTID:0001900","description":"Cyclic polyketides containing  both a cyclic amide and a cyclic ester group."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000394","name":"Alpha amino acid esters","chemont_id":"CHEMONTID:0000394","description":"Ester derivatives of alpha amino acids."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000147","name":"Macrolides and analogues","chemont_id":"CHEMONTID:0000147","description":"Organic compounds containing a lactone ring of at least twelve members."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000064","name":"Macrolactams","chemont_id":"CHEMONTID:0000064","description":"Cyclic amides of amino carboxylic acids, having a 1-azacycloalkan-2-one structure, or analogues having unsaturation or heteroatoms replacing one or more carbon atoms of the ring.  They are nitrogen analogues (the a nitrogen atom replacing the o atom of the cyclic carboxylic acid group ) of the naturally occurring macrolides."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001663","name":"Secondary carboxylic acid amides","chemont_id":"CHEMONTID:0001663","description":"Compounds containing a secondary carboxylic acid amide functional group, with the general structure RC(=O)N(R')H (R,R'=alkyl, aryl)."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001238","name":"Carboxylic acid esters","chemont_id":"CHEMONTID:0001238","description":"Carboxylic acid derivatives in which the carbon atom from the carbonyl group is attached to an alkyl or an aryl moiety through an oxygen atom (forming an ester group)."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000050","name":"Lactones","chemont_id":"CHEMONTID:0000050","description":"Cyclic esters of hydroxy carboxylic acids, containing a 1-oxacycloalkan-2-one structure, or analogues having unsaturation or heteroatoms replacing one or more carbon atoms of the ring."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000160","name":"Lactams","chemont_id":"CHEMONTID:0000160","description":"Compounds containing a lactam ring, which is a cyclic amide of amino carboxylic acids, having a 1-azacycloalkan-2-one structure (or an analogue having unsaturation or heteroatoms replacing one or more carbon atoms of the ring)."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0004140","name":"Oxacyclic compounds","chemont_id":"CHEMONTID:0004140","description":"Organic compounds containing an heterocycle with at least one oxygen atom linked to a ring carbon."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0004139","name":"Azacyclic compounds","chemont_id":"CHEMONTID:0004139","description":"Organic compounds containing an heterocycle with at least one nitrogen atom and one carbon atom linked to each other."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001137","name":"Monocarboxylic acids and derivatives","chemont_id":"CHEMONTID:0001137","description":"Carboxylic acids containing exactly one carboxyl groups."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0004150","name":"Hydrocarbon derivatives","chemont_id":"CHEMONTID:0004150","description":"Derivatives of hydrocarbons obtained by substituting one or more carbon atoms by an heteroatom. They contain at least one carbon atom and heteroatom."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0003940","name":"Organic oxides","chemont_id":"CHEMONTID:0003940","description":"Organic compounds containing an oxide group."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001831","name":"Carbonyl compounds","chemont_id":"CHEMONTID:0001831","description":"Organic compounds containing a carbonyl group, with the general structure RC(=O)R', where R=organyl, R'=H, N, O, organyl group or halide group."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000278","name":"Organonitrogen compounds","chemont_id":"CHEMONTID:0000278","description":"Organic compounds containing a nitrogen atom."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0004557","name":"Organopnictogen compounds","chemont_id":"CHEMONTID:0004557","description":"Compounds containing a bond between carbon a pnictogen atom. Pnictogens are p-block element atoms that are in the group 15 of the periodic table."}],"molecular_framework":"Aliphatic heteromonocyclic compounds","external_descriptors":[{"source":"CHEBI","source_id":"CHEBI:64373","annotations":["emericellamide"]}],"predicted_chebi_terms":["lactam (CHEBI:24995)","macrolide (CHEBI:25106)","alpha-amino acid ester (CHEBI:46874)","azamacrocycle (CHEBI:52898)","carboxamide (CHEBI:37622)","carboxylic ester (CHEBI:33308)","lactone (CHEBI:25000)","oxacycle (CHEBI:38104)","organonitrogen heterocyclic compound (CHEBI:38101)","carbonyl compound (CHEBI:36586)","organic molecule (CHEBI:72695)","organic oxide (CHEBI:25701)","organonitrogen compound (CHEBI:35352)","pnictogen molecular entity (CHEBI:33302)","organic molecular entity (CHEBI:50860)","cyclodepsipeptide (CHEBI:35213)","chemical entity (CHEBI:24431)","organooxygen compound (CHEBI:36963)","amino acid (CHEBI:33709)","peptide (CHEBI:16670)","amide (CHEBI:32988)","organic heterocyclic compound (CHEBI:24532)","oxygen molecular entity (CHEBI:25806)","nitrogen molecular entity (CHEBI:51143)","peptidomimetic (CHEBI:63175)","depsipeptide (CHEBI:23643)"],"classification_version":"2.1","predicted_lipidmaps_terms":["Macrolides and lactone polyketides (PK04)"]},"npclassifier":{"isglycoside":false,"class_results":["Cyclic peptides","Depsipeptides","Lipopeptides"],"pathway_results":["Amino acids and Peptides","Polyketides"],"superclass_results":["Oligopeptides"]}}