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CHEBI:86216 - 1-eicosanoyl-2-[(13Z)-docosenoyl]-sn-glycero-3-phosphocholine

ChEBI IDCHEBI:86216
ChEBI Name1-eicosanoyl-2-[(13Z)-docosenoyl]-sn-glycero-3-phosphocholine
Stars
ASCII Name1-eicosanoyl-2-[(13Z)-docosenoyl]-sn-glycero-3-phosphocholine
DefinitionA phosphatidylcholine 42:1 in which the acyl groups specified at positions 1 and 2 are eicosanoyl and (13Z)-docosenoyl respectively.
Last Modified23 October 2015
Submitternamrata
DownloadsMolfile
FormulaC50H98NO8P
Net Charge0
Average Mass872.307
Monoisotopic Mass871.70301
SMILESCCCCCCCC/C=C\CCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
InChIInChI=1S/C50H98NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h20,22,48H,6-19,21,23-47H2,1-5H3/b22-20-/t48-/m1/s1
InChIKeyQXFAPNLFOQKMLO-RURDTVAGSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
1-eicosanoyl-2-[(13Z)-docosenoyl]-sn-glycero-3-phosphocholine (CHEBI:86216) has functional parent erucic acid (CHEBI:28792)
1-eicosanoyl-2-[(13Z)-docosenoyl]-sn-glycero-3-phosphocholine (CHEBI:86216) has functional parent icosanoic acid (CHEBI:28822)
1-eicosanoyl-2-[(13Z)-docosenoyl]-sn-glycero-3-phosphocholine (CHEBI:86216) is a phosphatidylcholine 42:1 (CHEBI:66970)
IUPAC Name 
(2R)-2-{[(13Z)-docos-13-enoyl]oxy}-3-(icosanoyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms  Source
PC(20:0/22:1(13Z))LIPID MAPS
GPCho(20:0/22:1w9)HMDB
Phosphatidylcholine(20:0/22:1w9)HMDB
Phosphatidylcholine(20:0/22:1n9)HMDB
PC(20:0/22:1w9)HMDB
PC(20:0/22:1n9)HMDB
Manual XrefsDatabases
LMGP01011026LIPID MAPS
HMDB0008283HMDB