CHEBI:86174 - 1-hexadecanoyl-2-[(13Z)-docosenoyl]-sn-glycero-3-phosphocholine

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ChEBI Name 1-hexadecanoyl-2-[(13Z)-docosenoyl]-sn-glycero-3-phosphocholine
ChEBI ID CHEBI:86174
ChEBI ASCII Name 1-hexadecanoyl-2-[(13Z)-docosenoyl]-sn-glycero-3-phosphocholine
Definition A phosphatidylcholine 38:1 in which the acyl groups specified at positions 1 and 2 are hexadecanoyl and (13Z)-docosenoyl respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C46H90NO8P
Net Charge 0
Average Mass 816.18250
Monoisotopic Mass 815.64041
InChI InChI=1S/C46H90NO8P/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/h20-21,44H,6-19,22-43H2,1-5H3/b21-20-/t44-/m1/s1
InChIKey BBIXKOPOMMUIOM-UIJSWADASA-N
SMILES CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC
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 38:1 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 1-hexadecanoyl-2-[(13Z)-docosenoyl]-sn-glycero-3-phosphocholine (CHEBI:86174) has functional parent erucic acid (CHEBI:28792)
1-hexadecanoyl-2-[(13Z)-docosenoyl]-sn-glycero-3-phosphocholine (CHEBI:86174) has functional parent hexadecanoic acid (CHEBI:15756)
1-hexadecanoyl-2-[(13Z)-docosenoyl]-sn-glycero-3-phosphocholine (CHEBI:86174) is a phosphatidylcholine 38:1 (CHEBI:66860)
IUPAC Name
(2R)-2-{[(13Z)-docos-13-enoyl]oxy}-3-(hexadecanoyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms Sources
1-Palmitoyl-2-erucoyl-sn-glycero-3-phosphocholine HMDB
GPCho(16:0/22:1) HMDB
GPCho(16:0/22:1n9) HMDB
GPCho(16:0/22:1w9) HMDB
PC(16:0/22:1(13Z)) LIPID MAPS
PC(16:0/22:1) HMDB
PC(16:0/22:1n9) HMDB
PC(16:0/22:1w9) HMDB
Phosphatidylcholine(16:0/22:1) HMDB
Phosphatidylcholine(16:0/22:1n9) HMDB
Phosphatidylcholine(16:0/22:1w9) HMDB
Manual Xrefs Databases
HMDB0007986 HMDB
LMGP01010638 LIPID MAPS
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Last Modified
25 June 2015