CHEBI:89113 - PC(20:3(5Z,8Z,11Z)/18:2(9Z,12Z))

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ChEBI Name PC(20:3(5Z,8Z,11Z)/18:2(9Z,12Z))
ChEBI ID CHEBI:89113
Stars This entity has been manually annotated by a third party.
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Formula C46H82NO8P
Net Charge 0
Average Mass 808.121
Monoisotopic Mass 807.57781
InChI InChI=1S/C46H82NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-27-24-21-19-17-15-13-11-9-7-2/h15,17,20-22,24-26,30,32,44H,6-14,16,18-19,23,27-29,31,33-43H2,1-5H3/b17-15-,22-20-,24-21-,26-25-,32-30-/t44-/m1/s1
InChIKey SKQBFCOATFWTGJ-GGVIMJHGSA-N
SMILES C([C@@](COC(CCC/C=C\C/C=C\C/C=C\CCCCCCCC)=O)(OC(CCCCCCC/C=C\C/C=C\CCCCC)=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(20:3(5Z,8Z,11Z)/18:2(9Z,12Z)) (CHEBI:89113) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
Synonyms Sources
(2-{[(2R)-3-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyloxy]-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium HMDB
1-Meadoyl-2-linoleoyl-sn-glycero-3-phosphocholine HMDB
GPCho(20:3/18:2) HMDB
GPCho(20:3n9/18:2n6) HMDB
GPCho(20:3w9/18:2w6) HMDB
GPCho(38:5) HMDB
Lecithin HMDB
PC aa C38:5 HMDB
PC(20:3/18:2) HMDB
PC(20:3n9/18:2n6) HMDB
PC(20:3w9/18:2w6) HMDB
PC(38:5) HMDB
Phosphatidylcholine(20:3/18:2) HMDB
Phosphatidylcholine(20:3n9/18:2n6) HMDB
Phosphatidylcholine(20:3w9/18:2w6) HMDB
Phosphatidylcholine(38:5) HMDB
Manual Xrefs Databases
HMDB0008369 HMDB
Lecithin Wikipedia
PHOSPHATIDYLCHOLINE MetaCyc
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Citation Waiting for Citations Type Source
24023812 PubMed citation Europe PMC