CHEBI:86232 - 1-[(1Z)-hexadecenyl]-2-[(9Z)-octadecenoyl]-sn-glycero-3-phosphocholine

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ChEBI Name 1-[(1Z)-hexadecenyl]-2-[(9Z)-octadecenoyl]-sn-glycero-3-phosphocholine
ChEBI ID CHEBI:86232
ChEBI ASCII Name 1-[(1Z)-hexadecenyl]-2-[(9Z)-octadecenoyl]-sn-glycero-3-phosphocholine
Definition A 1-(Z)-alk-1-enyl-2-oleoyl-sn-glycero-3-phosphocholine in which the alkenyl group specified is (1Z)-hexadecenyl.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C42H82NO7P
Net Charge 0
Average Mass 744.078
Monoisotopic Mass 743.58289
InChI InChI=1S/C42H82NO7P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-42(44)50-41(40-49-51(45,46)48-38-36-43(3,4)5)39-47-37-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h20,22,34,37,41H,6-19,21,23-33,35-36,38-40H2,1-5H3/b22-20-,37-34-/t41-/m1/s1
InChIKey CRBBMHQTIAELIS-KQBBALDBSA-N
SMILES C(CCCCCCC/C=C\CCCCCCCC)(=O)O[C@@H](COP(=O)(OCC[N+](C)(C)C)[O-])CO/C=C\CCCCCCCCCCCCCC
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 1-[(1Z)-hexadecenyl]-2-[(9Z)-octadecenoyl]-sn-glycero-3-phosphocholine (CHEBI:86232) has role metabolite (CHEBI:25212)
1-[(1Z)-hexadecenyl]-2-[(9Z)-octadecenoyl]-sn-glycero-3-phosphocholine (CHEBI:86232) is a 1-(Z)-alk-1-enyl-2-oleoyl-sn-glycero-3-phosphocholine (CHEBI:77294)
IUPAC Name
(2R)-3-{[(1Z)-hexadec-1-en-1-yl]oxy}-2-{[(9Z)-octadec-9-enoyl]oxy}propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms Sources
1-O-(1Z-hexadecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine UniProt
PC(P-16:0/18:1(9Z)) LIPID MAPS
Manual Xrefs Databases
HMDB0011210 HMDB
LMGP01030006 LIPID MAPS
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Last Modified
25 March 2021