{"id":15174,"npaid":"NPA015174","original_name":"ZGL1","mol_formula":"C54H107N2O17P","mol_weight":"1087.4210","exact_mass":"1086.7307","inchikey":"VIBYLRIMEBYIES-YEYKLKAWSA-N","smiles":"CCCCCCCCCCCCCCCCCCCCCCC(C(=O)N[C@@H](COP(=O)(O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H]([C@H]1O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)N)O)O)O)O)[C@@H](C(CCCCCCCCCCCCCC)O)O)O","cluster_id":1386,"node_id":1164,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C54H107N2O17P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-41(59)53(67)56-39(44(60)40(58)35-33-31-29-27-25-16-14-12-10-8-6-4-2)38-70-74(68,69)73-52-50(66)48(64)47(63)49(65)51(52)72-54-43(55)46(62)45(61)42(37-57)71-54/h39-52,54,57-66H,3-38,55H2,1-2H3,(H,56,67)(H,68,69)/t39-,40?,41?,42+,43+,44-,45+,46+,47-,48-,49+,50+,51+,52-,54+/m0/s1","m_plus_h":"1087.7380","m_plus_na":"1109.7199","origin_reference":{"doi":"10.1248/cpb.52.473","pmid":15056970,"authors":"Yamada-Hada, Junko; Hada, Noriyasu; Aoki, Kazuhiro; Yamamoto, Kenji; Takeda, Tadahiro","title":"Structural elucidation of novel phosphocholine-containing glycosylinositol-phosphoceramides in filamentus fungi: (2). Spectral analysis of the sugar-inositol portion by 2D-NMR","journal":"Chemical and Pharmaceutical Bulletin","year":2004,"volume":"52","issue":"4","pages":"473-476"},"origin_organism":{"id":103,"type":"Fungus","genus":"Acremonium","species":"sp.","taxon":{"id":900,"name":"Acremonium","rank":"genus","taxon_db":"mycobank","external_id":"7028","ncbi_id":159075,"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":879,"name":"Sordariomycetes","rank":"class","taxon_db":"mycobank","external_id":"90350","ncbi_id":147550},{"id":899,"name":"Hypocreales","rank":"order","taxon_db":"mycobank","external_id":"90477","ncbi_id":5125}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1248/cpb.52.473","structure_smiles":"CCCCCCCCCCCCCCCCCCCCCCC(C(=O)N[C@@H](COP(=O)(O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H]([C@H]1O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)N)O)O)O)O)[C@@H](C(CCCCCCCCCCCCCC)O)O)O","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0005234"}],"classyfire":{"class":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000257","name":"Sphingolipids","chemont_id":"CHEMONTID:0000257","description":"Lipids  containing backbone of sphingoid bases (e.g. Sphinogsine, sphinganine) usually bound to a fatty acid derivative through N-acylation."},"smiles":"CCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)N[C@@H](COP(O)(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1N)[C@H](O)C(O)CCCCCCCCCCCCCC","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=VIBYLRIMEBYIES-YEYKLKAWSA-N","subclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0003392","name":"Phosphosphingolipids","chemont_id":"CHEMONTID:0003392","description":"Sphingolipids with a structure based on a sphingoid base that is attached to a phosphate head group. They differ from phosphonospingolipids which have a phosphonate head group."},"ancestors":["1,2-aminoalcohols","Acetals","Alcohols and polyols","Alkanolamines","Alkyl phosphates","Amines","Amino acids and derivatives","Amino acids, peptides, and analogues","Aminocyclitol glycosides","Aminoglycosides","Aminosaccharides","Carbohydrates and carbohydrate conjugates","Carbonyl compounds","Carboxylic acid amides","Carboxylic acid derivatives","Carboxylic acids and derivatives","Chemical entities","Cyclic alcohols and derivatives","Cyclitols and derivatives","Cyclohexanols","Dialkyl phosphates","Ethers","Fatty Acyls","Fatty amides","Glycosyl compounds","Hexoses","Hydrocarbon derivatives","Inositol phosphates","Lipids and lipid-like molecules","Monoalkylamines","Monosaccharide phosphates","Monosaccharides","N-acyl amines","O-glycosyl compounds","Organic acids and derivatives","Organic compounds","Organic nitrogen compounds","Organic oxides","Organic oxygen compounds","Organic phosphoric acids and derivatives","Organoheterocyclic compounds","Organonitrogen compounds","Organooxygen compounds","Organopnictogen compounds","Oxacyclic compounds","Oxanes","Phosphate esters","Phosphoethanolamines","Phosphosphingolipids","Polyols","Primary alcohols","Primary amines","Secondary alcohols","Secondary carboxylic acid amides","Sphingolipids"],"superclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000012","name":"Lipids and lipid-like molecules","chemont_id":"CHEMONTID:0000012","description":"Fatty acids and their derivatives, and substances related biosynthetically or functionally to these compounds."},"description":"This compound belongs to the class of organic compounds known as phosphosphingolipids. These are sphingolipids with a structure based on a sphingoid base that is attached to a phosphate head group. They differ from phosphonospingolipids which have a phosphonate head group.","substituents":["Sphingoid-1-phosphate or derivatives","Aminoglycoside core","Amino cyclitol glycoside","Inositol phosphate","Hexose monosaccharide","Glycosyl compound","O-glycosyl compound","Monosaccharide phosphate","Phosphoethanolamine","Cyclohexanol","Dialkyl phosphate","Amino saccharide","Cyclitol or derivatives","Fatty amide","Fatty acyl","Monosaccharide","N-acyl-amine","Organic phosphoric acid derivative","Oxane","Phosphoric acid ester","Alkyl phosphate","Cyclic alcohol","Secondary carboxylic acid amide","Secondary alcohol","1,2-aminoalcohol","Carboxamide group","Amino acid or derivatives","Polyol","Oxacycle","Organoheterocyclic compound","Carboxylic acid derivative","Acetal","Primary aliphatic amine","Organopnictogen compound","Organonitrogen compound","Organic oxide","Primary alcohol","Carbonyl group","Organooxygen compound","Organic nitrogen compound","Primary amine","Organic oxygen compound","Alcohol","Amine","Hydrocarbon derivative","Aliphatic heteromonocyclic compound"],"direct_parent":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0003392","name":"Phosphosphingolipids","chemont_id":"CHEMONTID:0003392","description":"Sphingolipids with a structure based on a sphingoid base that is attached to a phosphate head group. They differ from phosphonospingolipids which have a phosphonate head group."},"intermediate_nodes":[],"alternative_parents":[{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001675","name":"Aminocyclitol glycosides","chemont_id":"CHEMONTID:0001675","description":"Organic compounds containing an amicocyclitol moiety glycosidically linked to a carbohydrate moiety. There are two major classes of aminoglycosides containing a 2-streptamine core. They are called 4,5- and 4,6-disubstituted 2-deoxystreptamines."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0002511","name":"Inositol phosphates","chemont_id":"CHEMONTID:0002511","description":"Compounds containing a phosphate group attached to an inositol (or cyclohexanehexol) moiety."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001498","name":"Hexoses","chemont_id":"CHEMONTID:0001498","description":"Monosaccharides in which the sugar unit is a is a six-carbon containing moeity."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0002207","name":"O-glycosyl compounds","chemont_id":"CHEMONTID:0002207","description":"Glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001541","name":"Monosaccharide phosphates","chemont_id":"CHEMONTID:0001541","description":"Monosaccharides comprising a phosphated group linked to the carbohydrate unit."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001266","name":"Phosphoethanolamines","chemont_id":"CHEMONTID:0001266","description":"Compounds containing a phosphate linked to the second carbon of an ethanolamine."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0002647","name":"Cyclohexanols","chemont_id":"CHEMONTID:0002647","description":"Compounds containing an alcohol group attached to a cyclohexane ring."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0003459","name":"Dialkyl phosphates","chemont_id":"CHEMONTID:0003459","description":"Organic compounds containing a phosphate group that is linked to exactly two alkyl chain."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001096","name":"N-acyl amines","chemont_id":"CHEMONTID:0001096","description":"Compounds containing a fatty acid moiety linked to an amine group through an ester linkage."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0002012","name":"Oxanes","chemont_id":"CHEMONTID:0002012","description":"Compounds containing an oxane (tetrahydropyran) ring, which is a six-member saturated aliphatic heterocycle with one oxygen atom and five carbon atoms."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001897","name":"1,2-aminoalcohols","chemont_id":"CHEMONTID:0001897","description":"Organic compounds containing an alkyl chain with an amine group bound to the C1 atom and an alcohol group bound to the C2 atom."},{"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/C0000347","name":"Amino acids and derivatives","chemont_id":"CHEMONTID:0000347","description":"Organic compounds containing an amine group, a carboxylic acid group (or a derivative thereof), and a side-chain that is specific to each amino acid."},{"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/C0002286","name":"Polyols","chemont_id":"CHEMONTID:0002286","description":"Organic compounds containing more than one hydroxyl groups."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001656","name":"Acetals","chemont_id":"CHEMONTID:0001656","description":"Compounds having the structure R2C(OR')2 ( R' not Hydrogen) and thus diethers of geminal diols. Originally, the term was confined to derivatives of aldehydes (one R = H), but it now applies equally to derivatives of ketones (neither R = H ). Mixed acetals have different R' groups."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000469","name":"Monoalkylamines","chemont_id":"CHEMONTID:0000469","description":"Organic compounds containing an primary aliphatic amine group."},{"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/C0000286","name":"Primary alcohols","chemont_id":"CHEMONTID:0000286","description":"Compounds comprising the primary alcohol functional group, with the general structure RCOH (R=alkyl, aryl)."},{"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/C0003940","name":"Organic oxides","chemont_id":"CHEMONTID:0003940","description":"Organic compounds containing an oxide group."},{"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":[],"predicted_chebi_terms":["glycoside (CHEBI:24400)","amino cyclitol (CHEBI:61689)","inositol phosphate (CHEBI:24846)","hexose (CHEBI:18133)","monosaccharide derivative (CHEBI:63367)","carbohydrate phosphate (CHEBI:26816)","phosphoethanolamine (CHEBI:36711)","cyclohexanols (CHEBI:23480)","dialkyl phosphate (CHEBI:16648)","fatty amide (CHEBI:29348)","oxanes (CHEBI:46942)","amino alcohol (CHEBI:22478)","carboxamide (CHEBI:37622)","organonitrogen compound (CHEBI:35352)","organooxygen compound (CHEBI:36963)","oxacycle (CHEBI:38104)","polyol (CHEBI:26191)","acetal (CHEBI:59769)","alkylamine (CHEBI:13759)","organic molecule (CHEBI:72695)","primary alcohol (CHEBI:15734)","carbonyl compound (CHEBI:36586)","organic oxide (CHEBI:25701)","pnictogen molecular entity (CHEBI:33302)","organic molecular entity (CHEBI:50860)","phosphosphingolipid (CHEBI:35786)","chemical entity (CHEBI:24431)","oxygen molecular entity (CHEBI:25806)","carbohydrates and carbohydrate derivatives (CHEBI:78616)","amino sugar (CHEBI:28963)","aminoglycoside (CHEBI:47779)","organic hydroxy compound (CHEBI:33822)","alcohol (CHEBI:30879)","monosaccharide (CHEBI:35381)","phosphoric acid derivative (CHEBI:26079)","phosphoric ester (CHEBI:37734)","secondary alcohol (CHEBI:35681)","alkyl phosphate (CHEBI:22324)","lipid (CHEBI:18059)","organic heterocyclic compound (CHEBI:24532)","nitrogen molecular entity (CHEBI:51143)","amine (CHEBI:32952)","amide (CHEBI:32988)","amino acid (CHEBI:33709)","peptide (CHEBI:16670)","ether (CHEBI:25698)","primary amine (CHEBI:32877)","sphingolipid (CHEBI:26739)"],"classification_version":"2.1","predicted_lipidmaps_terms":["N-acyl amines (FA0802)","Phosphosphingolipids (SP03)","Fatty Acyls (FA)","Fatty amides (FA08)","Sphingolipids (SP)"]},"npclassifier":{"isglycoside":true,"class_results":["Phosphosphingolipids"],"pathway_results":["Fatty acids"],"superclass_results":["Spingolipids"]}}