CHEBI:84538 - 1,2-di-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoethanolamine

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ChEBI Name 1,2-di-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoethanolamine ChEBI ID CHEBI:84538 ChEBI ASCII Name 1,2-di-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoethanolamine Definition A 1,2-diacyl-sn-glycero-3-phosphoethanolamine in which both the acyl groups specified is (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C49H74NO8P Net Charge 0 Average Mass 836.08750 Monoisotopic Mass 835.51521 InChI InChI=1S/C49H74NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-26,29-32,35-38,47H,3-4,9-10,15-16,21-22,27-28,33-34,39-46,50H2,1-2H3,(H,53,54)/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-,37-35-,38-36-/t47-/m1/s1 InChIKey RBDNSJMXMWTPCS-NYUVKXDYSA-N SMILES CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC Metabolite of Species Details Mus musculus (NCBI:txid10090) See: MetaboLights Study Roles Classification Biological Role(s): mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). View more via ChEBI Ontology ChEBI Ontology Outgoing 1,2-di-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoethanolamine (CHEBI:84538) has functional parent all-cis-docosa-4,7,10,13,16,19-hexaenoic acid (CHEBI:28125) 1,2-di-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoethanolamine (CHEBI:84538) has role mouse metabolite (CHEBI:75771) 1,2-di-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoethanolamine (CHEBI:84538) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674) IUPAC Name (2R)-3-{[(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]propyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate Synonyms Sources GPEtn(22:6/22:6) HMDB GPEtn(22:6n3/22:6n3) HMDB GPEtn(22:6w3/22:6w3) HMDB PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) LIPID MAPS PE(22:6/22:6) LIPID MAPS PE(22:6n3/22:6n3) HMDB PE(22:6w3/22:6w3) HMDB Phophatidylethanolamine(22:6/22:6) HMDB Phophatidylethanolamine(22:6n3/22:6n3) HMDB Phophatidylethanolamine(22:6w3/22:6w3) HMDB Manual Xrefs Databases HMDB0009705 HMDB LMGP02010093 LIPID MAPS View more database links Registry Numbers Types Sources 10638042 Reaxys Registry Number Reaxys 123284-81-1 CAS Registry Number ChemIDplus Last Modified 03 February 2015