CHEBI:86201 - 1-[(9Z)-octadecenoyl]-2-[(7Z,10Z,13Z,16Z)-docosatetraenoyl]-sn-glycero-3-phosphocholine

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ChEBI Name 1-[(9Z)-octadecenoyl]-2-[(7Z,10Z,13Z,16Z)-docosatetraenoyl]-sn-glycero-3-phosphocholine
ChEBI ID CHEBI:86201
ChEBI ASCII Name 1-[(9Z)-octadecenoyl]-2-[(7Z,10Z,13Z,16Z)-docosatetraenoyl]-sn-glycero-3-phosphocholine
Definition A phosphatidylcholine 40:5 in which the acyl groups specified at positions 1 and 2 are (9Z)-octadecenoyl and (7Z,10Z,13Z,16Z)-docosatetraenoyl respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C48H86NO8P
Net Charge 0
Average Mass 836.17210
Monoisotopic Mass 835.60911
InChI InChI=1S/C48H86NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-41-48(51)57-46(45-56-58(52,53)55-43-42-49(3,4)5)44-54-47(50)40-38-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h14,16,20-22,24-26,29,31,46H,6-13,15,17-19,23,27-28,30,32-45H2,1-5H3/b16-14-,22-20-,25-24-,26-21-,31-29-/t46-/m1/s1
InChIKey RNPXVUWNKQBTRY-UXAWILDOSA-N
SMILES CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC
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 40:5 )
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ChEBI Ontology
Outgoing 1-[(9Z)-octadecenoyl]-2-[(7Z,10Z,13Z,16Z)-docosatetraenoyl]-sn-glycero-3-phosphocholine (CHEBI:86201) has functional parent all-cis-docosa-7,10,13,16-tetraenoic acid (CHEBI:53487)
1-[(9Z)-octadecenoyl]-2-[(7Z,10Z,13Z,16Z)-docosatetraenoyl]-sn-glycero-3-phosphocholine (CHEBI:86201) has functional parent oleic acid (CHEBI:16196)
1-[(9Z)-octadecenoyl]-2-[(7Z,10Z,13Z,16Z)-docosatetraenoyl]-sn-glycero-3-phosphocholine (CHEBI:86201) is a phosphatidylcholine 40:5 (CHEBI:64524)
IUPAC Name
(2R)-2-{[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyl]oxy}-3-{[(9Z)-octadec-9-enoyl]oxy}propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms Sources
1-Oleoyl-2-adrenoyl-sn-glycero-3-phosphocholine HMDB
GPCho(18:1n9/22:4n6) HMDB
GPCho(18:1w9/22:4w6) HMDB
PC(18:1(9Z)/22:4(7Z,10Z,13Z,16Z)) LIPID MAPS
PC(18:1n9/22:4n6) HMDB
PC(18:1w9/22:4w6) HMDB
Phosphatidylcholine(18:1n9/22:4n6) HMDB
Phosphatidylcholine(18:1w9/22:4w6) HMDB
Manual Xrefs Databases
HMDB0008120 HMDB
LMGP01011613 LIPID MAPS
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Last Modified
13 July 2015