{"id":7901,"npaid":"NPA007901","original_name":"(2S,2′R,3R,4E,8E)-N-2′-hydroxypentadecanoyl-2-amino-9-methyl-4,8-octadecadiene-1,3-diol","mol_formula":"C34H65NO4","mol_weight":"551.8970","exact_mass":"551.4914","inchikey":"KDJJIDJLVVZMJR-KUIYMZJFSA-N","smiles":"CCCCCCCCCCCCC[C@H](C(=O)N[C@@H](CO)[C@@H](/C=C/CC/C=C(\\C)/CCCCCCCCC)O)O","cluster_id":1386,"node_id":1164,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C34H65NO4/c1-4-6-8-10-12-13-14-15-17-19-23-28-33(38)34(39)35-31(29-36)32(37)27-24-20-22-26-30(3)25-21-18-16-11-9-7-5-2/h24,26-27,31-33,36-38H,4-23,25,28-29H2,1-3H3,(H,35,39)/b27-24+,30-26+/t31-,32+,33+/m0/s1","m_plus_h":"552.4987","m_plus_na":"574.4806","origin_reference":{"doi":"10.1248/cpb.50.681","pmid":12036031,"authors":"Yaoita, Yasunori; Kohata, Rie; Kakuda, Rie; Machida, Koichi; Kikuchi, Masao","title":"Ceramide Constituents from Five Mushrooms","journal":"Chemical and Pharmaceutical Bulletin","year":2002,"volume":"50","issue":"5","pages":"681-684"},"origin_organism":{"id":3530,"type":"Fungus","genus":"Panellus","species":"serotinus","taxon":{"id":1478,"name":"Panellus","rank":"genus","taxon_db":"mycobank","external_id":"18178","ncbi_id":5635,"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":1365,"name":"Basidiomycota","rank":"phylum","taxon_db":"mycobank","external_id":"90050","ncbi_id":5204},{"id":1366,"name":"Agaricomycetes","rank":"class","taxon_db":"mycobank","external_id":"501297","ncbi_id":155619},{"id":1367,"name":"Agaricales","rank":"order","taxon_db":"mycobank","external_id":"90508","ncbi_id":5338},{"id":1476,"name":"Mycenaceae","rank":"family","taxon_db":"mycobank","external_id":"505549","ncbi_id":2024004}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1248/cpb.50.681","structure_smiles":"CCCCCCCCCCCCC[C@H](C(=O)N[C@@H](CO)[C@@H](/C=C/CC/C=C(\\C)/CCCCCCCCC)O)O","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0004189"}],"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":"CCCCCCCCCCCCC[C@@H](O)C(=O)N[C@@H](CO)[C@H](O)\\C=C\\CC\\C=C(/C)CCCCCCCCC","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=KDJJIDJLVVZMJR-KUIYMZJFSA-N","subclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001418","name":"Ceramides","chemont_id":"CHEMONTID:0001418","description":"Lipid molecules containing a sphingosine in which the amine group is linked to a fatty acid."},"ancestors":["Alcohols and polyols","Carbohydrates and carbohydrate conjugates","Carbonyl compounds","Carboxylic acid amides","Carboxylic acid derivatives","Carboxylic acids and derivatives","Ceramides","Chemical entities","Fatty Acyls","Fatty amides","Hydrocarbon derivatives","Lipids and lipid-like molecules","Long-chain ceramides","Monosaccharides","N-acyl amines","Organic acids and derivatives","Organic compounds","Organic nitrogen compounds","Organic oxides","Organic oxygen compounds","Organonitrogen compounds","Organooxygen compounds","Organopnictogen compounds","Primary alcohols","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 long-chain ceramides. These are ceramides bearing a long chain fatty acid.","substituents":["Long-chain ceramide","Fatty amide","Monosaccharide","Fatty acyl","N-acyl-amine","Carboxamide group","Secondary carboxylic acid amide","Secondary alcohol","Carboxylic acid derivative","Organonitrogen compound","Primary alcohol","Hydrocarbon derivative","Organic oxide","Organic oxygen compound","Alcohol","Organic nitrogen compound","Carbonyl group","Organooxygen compound","Aliphatic acyclic compound"],"direct_parent":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001669","name":"Long-chain ceramides","chemont_id":"CHEMONTID:0001669","description":"Ceramides bearing a long chain fatty acid."},"intermediate_nodes":[],"alternative_parents":[{"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/C0001540","name":"Monosaccharides","chemont_id":"CHEMONTID:0001540","description":"Compounds containing one carbohydrate unit not glycosidically linked to another such unit, and no set of two or more glycosidically linked carbohydrate units. Monosaccharides have the general formula CnH2nOn."},{"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/C0001661","name":"Secondary alcohols","chemont_id":"CHEMONTID:0001661","description":"Compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R') (R,R'=alkyl, aryl)."},{"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/C0000278","name":"Organonitrogen compounds","chemont_id":"CHEMONTID:0000278","description":"Organic compounds containing a nitrogen atom."},{"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/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/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."}],"molecular_framework":"Aliphatic acyclic compounds","external_descriptors":[],"predicted_chebi_terms":["fatty amide (CHEBI:29348)","monosaccharide (CHEBI:35381)","carboxamide (CHEBI:37622)","secondary alcohol (CHEBI:35681)","primary alcohol (CHEBI:15734)","organonitrogen compound (CHEBI:35352)","organic oxide (CHEBI:25701)","organic molecule (CHEBI:72695)","carbonyl compound (CHEBI:36586)","ceramide (CHEBI:17761)","chemical entity (CHEBI:24431)","lipid (CHEBI:18059)","organooxygen compound (CHEBI:36963)","oxygen molecular entity (CHEBI:25806)","organic molecular entity (CHEBI:50860)","carbohydrates and carbohydrate derivatives (CHEBI:78616)","organic acid (CHEBI:64709)","carboxylic acid (CHEBI:33575)","amide (CHEBI:32988)","polyol (CHEBI:26191)","organic hydroxy compound (CHEBI:33822)","alcohol (CHEBI:30879)","nitrogen molecular entity (CHEBI:51143)","sphingolipid (CHEBI:26739)"],"classification_version":"2.1","predicted_lipidmaps_terms":["N-acyl amines (FA0802)","Ceramides (SP02)","Fatty Acyls (FA)","Fatty amides (FA08)","Sphingolipids (SP)"]},"npclassifier":{"isglycoside":false,"class_results":["Ceramides"],"pathway_results":["Fatty acids"],"superclass_results":["Spingolipids"]}}