CHEBI:89439 - PC(18:3(9Z,12Z,15Z)/18:2(9Z,12Z))

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ChEBI Name PC(18:3(9Z,12Z,15Z)/18:2(9Z,12Z))
ChEBI ID CHEBI:89439
Stars This entity has been manually annotated by a third party.
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Formula C44H78NO8P
Net Charge 0
Average Mass 780.067
Monoisotopic Mass 779.54651
InChI InChI=1S/C44H78NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h8,10,14-17,20-23,42H,6-7,9,11-13,18-19,24-41H2,1-5H3/b10-8-,16-14-,17-15-,22-20-,23-21-/t42-/m1/s1
InChIKey QFDYIDGUKXRPKH-VSLGLSMXSA-N
SMILES C([C@@](COC(CCCCCCC/C=C\C/C=C\C/C=C\CC)=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 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)/18:2(9Z,12Z)) (CHEBI:89439) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
PC(18:3(9Z,12Z,15Z)/18:2(9Z,12Z)) (CHEBI:89439) is a 1-α-linolenoyl-2-acyl-sn-glycero-3-phosphocholine (CHEBI:167147)
Synonyms Sources
1-(9Z,12Z,15Z-octadecatrienoyl)-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphocholine UniProt
1-a-Linolenoyl-2-linoleoyl-sn-glycero-3-phosphocholine HMDB
1-alpha-Linolenoyl-2-linoleoyl-sn-glycero-3-phosphocholine HMDB
GPCho(18:3/18:2) HMDB
GPCho(18:3n3/18:2n6) HMDB
GPCho(18:3w3/18:2w6) HMDB
GPCho(36:5) HMDB
Lecithin HMDB
PC aa C36:5 HMDB
PC(18:3/18:2) HMDB
PC(18:3n3/18:2n6) HMDB
PC(18:3w3/18:2w6) HMDB
PC(36:5) HMDB
Phosphatidylcholine(18:3/18:2) HMDB
Phosphatidylcholine(18:3n3/18:2n6) HMDB
Phosphatidylcholine(18:3w3/18:2w6) HMDB
Phosphatidylcholine(36:5) HMDB
trimethyl(2-{[(2R)-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propyl phosphonato]oxy}ethyl)azanium HMDB
Manual Xrefs Databases
HMDB0008204 HMDB
Lecithin Wikipedia
PHOSPHATIDYLCHOLINE MetaCyc
View more database links
Last Modified
17 December 2020