CHEBI:86432 - 1-hexadecyl-2-[(9Z)-eicosenoyl]-sn-glycero-3-phosphocholine

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ChEBI Name 1-hexadecyl-2-[(9Z)-eicosenoyl]-sn-glycero-3-phosphocholine
ChEBI ID CHEBI:86432
ChEBI ASCII Name 1-hexadecyl-2-[(9Z)-eicosenoyl]-sn-glycero-3-phosphocholine
Definition A phosphatidylcholine O-36:1 in which the alkyl and acyl groups specified at positions 1 and 2 are hexadecyl and (9Z)-eicosenoyl respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C44H88NO7P
Net Charge 0
Average Mass 774.14580
Monoisotopic Mass 773.62984
InChI InChI=1S/C44H88NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-44(46)52-43(42-51-53(47,48)50-40-38-45(3,4)5)41-49-39-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h23-24,43H,6-22,25-42H2,1-5H3/b24-23-/t43-/m1/s1
InChIKey KDJNGPJWWLDTBH-IJPQMANRSA-N
SMILES CCCCCCCCCCCCCCCCOC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCCCCCC
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-36:1 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 1-hexadecyl-2-[(9Z)-eicosenoyl]-sn-glycero-3-phosphocholine (CHEBI:86432) has functional parent gadoleic acid (CHEBI:32419)
1-hexadecyl-2-[(9Z)-eicosenoyl]-sn-glycero-3-phosphocholine (CHEBI:86432) is a 2-acyl-1-alkyl-sn-glycero-3-phosphocholine (CHEBI:36702)
1-hexadecyl-2-[(9Z)-eicosenoyl]-sn-glycero-3-phosphocholine (CHEBI:86432) is a phosphatidylcholine O-36:1 (CHEBI:67066)
IUPAC Name
(2R)-3-(hexadecyloxy)-2-{[(9Z)-icos-9-enoyl]oxy}propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonym Source
PC(O-16:0/20:1(9Z)) LIPID MAPS
Manual Xref Database
LMGP01020052 LIPID MAPS
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Last Modified
13 July 2015