CHEBI:89442 - PC(18:3(9Z,12Z,15Z)/20:0)

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ChEBI Name PC(18:3(9Z,12Z,15Z)/20:0)
ChEBI ID CHEBI:89442
Stars This entity has been manually annotated by a third party.
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Formula C46H86NO8P
Net Charge 0
Average Mass 812.152
Monoisotopic Mass 811.60911
InChI InChI=1S/C46H86NO8P/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/h9,11,15,17,21,24,44H,6-8,10,12-14,16,18-20,22-23,25-43H2,1-5H3/b11-9-,17-15-,24-21-/t44-/m1/s1
InChIKey CFHMUBPSPSTZCR-LITWNLNFSA-N
SMILES C([C@@](COC(CCCCCCC/C=C\C/C=C\C/C=C\CC)=O)(OC(CCCCCCCCCCCCCCCCCCC)=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(18:3(9Z,12Z,15Z)/20:0) (CHEBI:89442) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
Synonyms Sources
(2-{[(2R)-2-(icosanoyloxy)-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium HMDB
1-a-Linolenoyl-2-arachidonyl-sn-glycero-3-phosphocholine HMDB
1-alpha-Linolenoyl-2-arachidonyl-sn-glycero-3-phosphocholine HMDB
GPCho(18:3/20:0) HMDB
GPCho(18:3n3/20:0) HMDB
GPCho(18:3w3/20:0) HMDB
GPCho(38:3) HMDB
Lecithin HMDB
PC aa C38:3 HMDB
PC(18:3/20:0) HMDB
PC(18:3n3/20:0) HMDB
PC(18:3w3/20:0) HMDB
PC(38:3) HMDB
Phosphatidylcholine(18:3/20:0) HMDB
Phosphatidylcholine(18:3n3/20:0) HMDB
Phosphatidylcholine(18:3w3/20:0) HMDB
Phosphatidylcholine(38:3) HMDB
Manual Xrefs Databases
HMDB0008208 HMDB
Lecithin Wikipedia
PHOSPHATIDYLCHOLINE MetaCyc
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Citation Waiting for Citations Type Source
24023812 PubMed citation Europe PMC