{"id":33269,"npaid":"NPA033269","original_name":"Pseudovibriamide B6","mol_formula":"C52H73N13O15S","mol_weight":"1152.2990","exact_mass":"1151.5070","inchikey":"DOSZVMSUCGKVPG-SGVYKYBRSA-N","smiles":"C/C=C(/C(=O)N[C@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C1=NC(C(=O)N[C@@H](CCC(N)=O)C(=O)OC(CC(=O)O)C2C(OC(=O)CC)CCN2C(=O)[C@@H](N)CC(C)C)=CS1)N1C(=O)N[C@@H](CC2=CC=C(O)C=C2)C1=O","cluster_id":7772,"node_id":5298,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C52H73N13O15S/c1-6-35(65-49(76)33(62-52(65)78)23-28-12-14-29(66)15-13-28)45(73)58-27(5)43(71)59-31(10-8-19-57-51(55)56)48(75)63-20-9-11-36(63)46-61-34(25-81-46)44(72)60-32(16-17-39(54)67)50(77)80-38(24-40(68)69)42-37(79-41(70)7-2)18-21-64(42)47(74)30(53)22-26(3)4/h6,12-15,25-27,30-33,36-38,42,66H,7-11,16-24,53H2,1-5H3,(H2,54,67)(H,58,73)(H,59,71)(H,60,72)(H,62,78)(H,68,69)(H4,55,56,57)/b35-6-/t27-,30+,31+,32+,33+,36+,37?,38?,42?/m1/s1","m_plus_h":"1152.5143","m_plus_na":"1174.4962","origin_reference":{"doi":"10.1002/anie.202017320","pmid":33961724,"authors":"Ióca, Laura P; Dai, Yitao; Kunakom, Sylvia; Diaz-Espinosa, Jennifer; Krunic, Aleksej; Crnkovic, Camila M; Orjala, Jimmy; Sanchez, Laura M; Ferreira, Antonio G; Berlinck, Roberto G S; Eustáquio, Alessandra S","title":"A Family of Nonribosomal Peptides Modulate Collective Behavior in Pseudovibrio Bacteria Isolated from Marine Sponges*.","journal":"Angewandte Chemie International Edition","year":2021,"volume":"60","issue":"29","pages":"15891-15898"},"origin_organism":{"id":10748,"type":"Bacterium","genus":"Pseudovibrio","species":"brasiliensis Ab134","taxon":{"id":44,"name":"Pseudovibrio","rank":"genus","taxon_db":"lpsn","external_id":"516426","ncbi_id":258255,"ancestors":[{"id":1,"name":"Bacteria","rank":"domain","taxon_db":"lpsn","external_id":"0","ncbi_id":2},{"id":2,"name":"Proteobacteria","rank":"phylum","taxon_db":"lpsn","external_id":"0","ncbi_id":1224},{"id":3,"name":"Alphaproteobacteria","rank":"class","taxon_db":"lpsn","external_id":"0","ncbi_id":28211},{"id":38,"name":"Rhodobacterales","rank":"order","taxon_db":"lpsn","external_id":"0","ncbi_id":204455},{"id":39,"name":"Rhodobacteraceae","rank":"family","taxon_db":"lpsn","external_id":"0","ncbi_id":31989}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1002/anie.202017320","structure_smiles":"C/C=C(/C(=O)N[C@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C1=NC(C(=O)N[C@@H](CCC(N)=O)C(=O)OC(CC(=O)O)C2C(OC(=O)CC)CCN2C(=O)[C@@H](N)CC(C)C)=CS1)N1C(=O)N[C@@H](CC2=CC=C(O)C=C2)C1=O","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[],"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":"CCC(=O)OC1CCN(C1C(CC(O)=O)OC(=O)[C@H](CCC(N)=O)NC(=O)C1=CSC(=N1)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](C)NC(=O)C(=C\\C)\\N1C(=O)N[C@@H](CC2=CC=C(O)C=C2)C1=O)C(=O)[C@@H](N)CC(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=DOSZVMSUCGKVPG-SGVYKYBRSA-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":["1-hydroxy-2-unsubstituted benzenoids","2,4-disubstituted thiazoles","Alanine and derivatives","Alpha amino acid amides","Alpha amino acid esters","Alpha amino acids and derivatives","Amines","Amino acids and derivatives","Amino acids, peptides, and analogues","Azacyclic compounds","Azoles","Azolidines","Benzene and substituted derivatives","Benzenoids","Carboximidamides","Carboxylic acid amides","Carboxylic acid derivatives","Carboxylic acid esters","Carboxylic acid imides","Carboxylic acids","Carboxylic acids and derivatives","Chemical entities","Depsipeptides","Dicarboximides","Fatty Acyls","Fatty acid esters","Fatty amides","Glutamine and derivatives","Guanidines","Heteroaromatic compounds","Hydantoins","Hydrocarbon derivatives","Imidazolidinediones","Imidazolidines","Imidazolidinones","Imidothioesters","Imidothioic acids and derivatives","Leucine and derivatives","Lipids and lipid-like molecules","Monoalkylamines","N-acyl amines","N-acyl-L-alpha-amino acids","N-acyl-L-glutamines","N-acyl-alpha amino acids","N-acyl-alpha amino acids and derivatives","N-acylpyrrolidines","Organic 1,3-dipolar compounds","Organic acids and derivatives","Organic carbonic acids and derivatives","Organic compounds","Organic nitrogen compounds","Organic oxides","Organic oxygen compounds","Organoheterocyclic compounds","Organonitrogen compounds","Organooxygen compounds","Organopnictogen compounds","Organosulfur compounds","Peptidomimetics","Phenols","Primary amines","Propargyl-type 1,3-dipolar organic compounds","Pyrrolidines","Sulfenyl compounds","Tertiary carboxylic acid amides","Thiazolecarboxamides","Thiazolecarboxylic acids and derivatives","Thiazoles","Tricarboxylic acids and derivatives"],"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 depsipeptides. 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