CHEBI:86416 - 1-eicosanoyl-2-[(11Z,14Z,17Z)-eicosatrienoyl]-sn-glycero-3-phosphocholine

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ChEBI Name 1-eicosanoyl-2-[(11Z,14Z,17Z)-eicosatrienoyl]-sn-glycero-3-phosphocholine
ChEBI ID CHEBI:86416
ChEBI ASCII Name 1-eicosanoyl-2-[(11Z,14Z,17Z)-eicosatrienoyl]-sn-glycero-3-phosphocholine
Definition A phosphatidylcholine 40:3 in which the acyl groups specified at positions 1 and 2 are eicosanoyl and (11Z,14Z,17Z)-eicosatrienoyl respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C48H90NO8P
Net Charge 0
Average Mass 840.20390
Monoisotopic Mass 839.64041
InChI InChI=1S/C48H90NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h9,11,15,17,21,23,46H,6-8,10,12-14,16,18-20,22,24-45H2,1-5H3/b11-9-,17-15-,23-21-/t46-/m1/s1
InChIKey REABNEVSLLNWCN-NEUZZYPFSA-N
SMILES CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/C\C=C/C\C=C/CC
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 40:3 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 1-eicosanoyl-2-[(11Z,14Z,17Z)-eicosatrienoyl]-sn-glycero-3-phosphocholine (CHEBI:86416) has functional parent all-cis-icosa-11,14,17-trienoic acid (CHEBI:53460)
1-eicosanoyl-2-[(11Z,14Z,17Z)-eicosatrienoyl]-sn-glycero-3-phosphocholine (CHEBI:86416) has functional parent icosanoic acid (CHEBI:28822)
1-eicosanoyl-2-[(11Z,14Z,17Z)-eicosatrienoyl]-sn-glycero-3-phosphocholine (CHEBI:86416) is a phosphatidylcholine 40:3 (CHEBI:66863)
IUPAC Name
(2R)-3-(icosanoyloxy)-2-{[(11Z,14Z,17Z)-icosa-11,14,17-trienoyl]oxy}propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonym Source
PC(20:0/20:3(11Z,14Z,17Z)) LIPID MAPS
Manual Xref Database
LMGP01011022 LIPID MAPS
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Last Modified
10 July 2015