CHEBI:89690 - PC(18:1(11Z)/20:3(5Z,8Z,11Z))

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ChEBI Name PC(18:1(11Z)/20:3(5Z,8Z,11Z))
ChEBI ID CHEBI:89690
Stars This entity has been manually annotated by a third party.
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Formula C46H84NO8P
Net Charge 0
Average Mass 810.137
Monoisotopic Mass 809.59346
InChI InChI=1S/C46H84NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h17,19-20,22,25,27,31,33,44H,6-16,18,21,23-24,26,28-30,32,34-43H2,1-5H3/b19-17-,22-20-,27-25-,33-31-/t44-/m1/s1
InChIKey GUKWLDDRYZDHHJ-QQZUSIKJSA-N
SMILES C([C@@](COC(CCCCCCCCC/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 saliva (UBERON:0001836). See: Dame, ZT. et al. (2014) The Human Saliva Metabolome (manuscript in preparation)
Homo sapiens (NCBI:txid9606) Found in urine (BTO:0001419). See: PubMed
ChEBI Ontology
Outgoing PC(18:1(11Z)/20:3(5Z,8Z,11Z)) (CHEBI:89690) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
Synonyms Sources
(2-{[(2R)-2-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyloxy]-3-[(11Z)-octadec-11-enoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium HMDB
1-Vaccenoyl-2-meadoyl-sn-glycero-3-phosphocholine HMDB
GPCho(18:1/20:3) HMDB
GPCho(18:1n7/20:3n9) HMDB
GPCho(18:1w7/20:3w9) HMDB
GPCho(38:4) HMDB
Lecithin HMDB
PC aa C38:4 HMDB
PC(18:1/20:3) HMDB
PC(18:1n7/20:3n9) HMDB
PC(18:1w7/20:3w9) HMDB
PC(38:4) HMDB
Phosphatidylcholine(18:1/20:3) HMDB
Phosphatidylcholine(18:1n7/20:3n9) HMDB
Phosphatidylcholine(18:1w7/20:3w9) HMDB
Phosphatidylcholine(38:4) HMDB
Manual Xrefs Databases
HMDB0008079 HMDB
Lecithin Wikipedia
PHOSPHATIDYLCHOLINE MetaCyc
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Citation Waiting for Citations Type Source
24023812 PubMed citation Europe PMC