CHEBI:88904 - PC(20:4(5Z,8Z,11Z,14Z)/22:0)

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ChEBI Name PC(20:4(5Z,8Z,11Z,14Z)/22:0)
ChEBI ID CHEBI:88904
Stars This entity has been manually annotated by a third party.
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Formula C50H92NO8P
Net Charge 0
Average Mass 866.243
Monoisotopic Mass 865.65606
InChI InChI=1S/C50H92NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h15,17,21,23,28,30,34,36,48H,6-14,16,18-20,22,24-27,29,31-33,35,37-47H2,1-5H3/b17-15-,23-21-,30-28-,36-34-/t48-/m1/s1
InChIKey CVECNRQDBOYLEX-YUDFJFIPSA-N
SMILES C([C@@](COC(CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=O)(OC(CCCCCCCCCCCCCCCCCCCCC)=O)[H])OP([O-])(=O)OCC[N+](C)(C)C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in urine (BTO:0001419). See: PubMed
Homo sapiens (NCBI:txid9606) Found in saliva (UBERON:0001836). See: Dame, ZT. et al. (2014) The Human Saliva Metabolome (manuscript in preparation)
ChEBI Ontology
Outgoing PC(20:4(5Z,8Z,11Z,14Z)/22:0) (CHEBI:88904) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
Synonyms Sources
(2-{[(2R)-2-(docosanoyloxy)-3-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium HMDB
1-Arachidonoyl-2-behenoyl-sn-glycero-3-phosphocholine HMDB
GPCho(20:4/22:0) HMDB
GPCho(20:4n6/22:0) HMDB
GPCho(20:4w6/22:0) HMDB
GPCho(42:4) HMDB
Lecithin HMDB
PC aa C42:4 HMDB
PC(20:4/22:0) HMDB
PC(20:4n6/22:0) HMDB
PC(20:4w6/22:0) HMDB
PC(42:4) HMDB
Phosphatidylcholine(20:4/22:0) HMDB
Phosphatidylcholine(20:4n6/22:0) HMDB
Phosphatidylcholine(20:4w6/22:0) HMDB
Phosphatidylcholine(42:4) HMDB
Manual Xrefs Databases
HMDB0008446 HMDB
Lecithin Wikipedia
PHOSPHATIDYLCHOLINE MetaCyc
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Citation Waiting for Citations Type Source
24023812 PubMed citation Europe PMC