CHEBI:89735 - PC(16:1(9Z)/20:3(5Z,8Z,11Z))

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ChEBI Name PC(16:1(9Z)/20:3(5Z,8Z,11Z))
ChEBI ID CHEBI:89735
Stars This entity has been manually annotated by a third party.
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Formula C44H80NO8P
Net Charge 0
Average Mass 782.083
Monoisotopic Mass 781.56216
InChI InChI=1S/C44H80NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2/h17,19-21,23,25,29,31,42H,6-16,18,22,24,26-28,30,32-41H2,1-5H3/b19-17-,21-20-,25-23-,31-29-/t42-/m1/s1
InChIKey SKHRULFMZYNDLW-IRKGUOCTSA-N
SMILES C([C@@](COC(CCCCCCC/C=C\CCCCCC)=O)(OC(CCC/C=C\C/C=C\C/C=C\CCCCCCCC)=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(16:1(9Z)/20:3(5Z,8Z,11Z)) (CHEBI:89735) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
IUPAC Name
(2-{[(2R)-3-[(9Z)-hexadec-9-enoyloxy]-2-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium
Synonyms Sources
1-Palmitoleoyl-2-meadoyl-sn-glycero-3-phosphocholine HMDB
GPCho(16:1/20:3) HMDB
GPCho(16:1n7/20:3n9) HMDB
GPCho(16:1w7/20:3w9) HMDB
GPCho(36:4) HMDB
Lecithin HMDB
PC aa C36:4 HMDB
PC(16:1/20:3) HMDB
PC(16:1n7/20:3n9) HMDB
PC(16:1w7/20:3w9) HMDB
PC(36:4) HMDB
Phosphatidylcholine(16:1/20:3) HMDB
Phosphatidylcholine(16:1n7/20:3n9) HMDB
Phosphatidylcholine(16:1w7/20:3w9) HMDB
Phosphatidylcholine(36:4) HMDB
Manual Xrefs Databases
HMDB0008013 HMDB
Lecithin Wikipedia
PHOSPHATIDYLCHOLINE MetaCyc
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Citation Waiting for Citations Type Source
24023812 PubMed citation Europe PMC