CHEBI:86425 - 1-[(9Z)-hexadecenyl]-2-[(9Z)-hexadecenoyl]-sn-glycero-3-phosphocholine

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ChEBI Name 1-[(9Z)-hexadecenyl]-2-[(9Z)-hexadecenoyl]-sn-glycero-3-phosphocholine
ChEBI ID CHEBI:86425
ChEBI ASCII Name 1-[(9Z)-hexadecenyl]-2-[(9Z)-hexadecenoyl]-sn-glycero-3-phosphocholine
Definition A phosphatidylcholine O-32:2 in which the alkyl and acyl groups specified at positions 1 and 2 are (9Z)-hexadecenyl and (9Z)-hexadecenoyl respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C40H78NO7P
Net Charge 0
Average Mass 716.02360
Monoisotopic Mass 715.55159
InChI InChI=1S/C40H78NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-35-45-37-39(38-47-49(43,44)46-36-34-41(3,4)5)48-40(42)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h16-19,39H,6-15,20-38H2,1-5H3/b18-16-,19-17-/t39-/m1/s1
InChIKey MZDGVRYVGYDNAO-KETLZHFASA-N
SMILES CCCCCC\C=C/CCCCCCCCOC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCC
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.
(via phosphatidylcholine O-32:2 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 1-[(9Z)-hexadecenyl]-2-[(9Z)-hexadecenoyl]-sn-glycero-3-phosphocholine (CHEBI:86425) has functional parent (9Z)-hexadecenoic acid (CHEBI:28716)
1-[(9Z)-hexadecenyl]-2-[(9Z)-hexadecenoyl]-sn-glycero-3-phosphocholine (CHEBI:86425) is a 2-acyl-1-alkyl-sn-glycero-3-phosphocholine (CHEBI:36702)
1-[(9Z)-hexadecenyl]-2-[(9Z)-hexadecenoyl]-sn-glycero-3-phosphocholine (CHEBI:86425) is a phosphatidylcholine O-32:2 (CHEBI:85568)
IUPAC Name
(2R)-2-{[(9Z)-hexadec-9-enoyl]oxy}-3-{[(9Z)-hexadec-9-en-1-yl]oxy}propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonym Source
PC(o-16:1(9Z)/16:1(9Z)) HMDB
Manual Xref Database
HMDB0013411 HMDB
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Last Modified
10 July 2015