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CHEBI:64500 - 1-(7Z-hexadecenoyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphocholine

ChEBI IDCHEBI:64500
ChEBI Name1-(7Z-hexadecenoyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphocholine
Stars
ASCII Name1-(7Z-hexadecenoyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphocholine
DefinitionA 1,2-diacyl-sn-glycero-3-phosphocholine in which the acyl groups at C-1 and C-2 are 7Z-hexadecenoyl and 4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl respectively.
Last Modified21 June 2012
Submittermwilliams
DownloadsMolfile
FormulaC46H78NO8P
Net Charge0
Average Mass804.103
Monoisotopic Mass803.54651
SMILES[H][C@@](COC(=O)CCCCC/C=C\CCCCCCCC)(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC
InChIInChI=1S/C46H78NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2/h8,10,14,16,20-21,23-24,26-29,33,35,44H,6-7,9,11-13,15,17-19,22,25,30-32,34,36-43H2,1-5H3/b10-8-,16-14-,21-20-,24-23-,28-26-,29-27-,35-33-/t44-/m1/s1
InChIKeyLBKAWBGKYHQLFF-MHQMSHEBSA-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-(7Z-hexadecenoyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphocholine (CHEBI:64500) is a phosphatidylcholine 38:7 (CHEBI:64498)
IUPAC Name 
(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-3-[(7Z)-hexadec-7-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate
Synonyms  Source
PC(16:1/22:6)LIPID MAPS
PC(38:7)ChEBI
GPCho(38:7)ChEBI
PC(16:1(7Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))LIPID MAPS
Manual XrefsDatabases
LMGP01011306LIPID MAPS