CHEBI:88708 - PC(22:2(13Z,16Z)/18:1(11Z))

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ChEBI Name PC(22:2(13Z,16Z)/18:1(11Z))
ChEBI ID CHEBI:88708
Stars This entity has been manually annotated by a third party.
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Formula C48H90NO8P
Net Charge 0
Average Mass 840.206
Monoisotopic Mass 839.64041
InChI InChI=1S/C48H90NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-26-21-19-17-15-13-11-9-7-2/h14,16-17,19-20,22,46H,6-13,15,18,21,23-45H2,1-5H3/b16-14-,19-17-,22-20-/t46-/m1/s1
InChIKey JEEDOLIAMMVOTO-IMLSBYECSA-N
SMILES C([C@@](COC(CCCCCCCCCCC/C=C\C/C=C\CCCCC)=O)(OC(CCCCCCCCC/C=C\CCCCCC)=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
ChEBI Ontology
Outgoing PC(22:2(13Z,16Z)/18:1(11Z)) (CHEBI:88708) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
Synonyms Sources
(2-{[(2R)-3-[(13Z,16Z)-docosa-13,16-dienoyloxy]-2-[(11Z)-octadec-11-enoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium HMDB
1-Docosadienoyl-2-vaccenoyl-sn-glycero-3-phosphocholine HMDB
GPCho(22:2/18:1) HMDB
GPCho(22:2n6/18:1n7) HMDB
GPCho(22:2w6/18:1w7) HMDB
GPCho(40:3) HMDB
Lecithin HMDB
PC aa C40:3 HMDB
PC(22:2/18:1) HMDB
PC(22:2n6/18:1n7) HMDB
PC(22:2w6/18:1w7) HMDB
PC(40:3) HMDB
Phosphatidylcholine(22:2/18:1) HMDB
Phosphatidylcholine(22:2n6/18:1n7) HMDB
Phosphatidylcholine(22:2w6/18:1w7) HMDB
Phosphatidylcholine(40:3) HMDB
Manual Xrefs Databases
HMDB0008596 HMDB
Lecithin Wikipedia
PHOSPHATIDYLCHOLINE MetaCyc
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Citation Waiting for Citations Type Source
24023812 PubMed citation Europe PMC