CHEBI:89438 - PC(18:3(9Z,12Z,15Z)/18:0)

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ChEBI Name PC(18:3(9Z,12Z,15Z)/18:0)
ChEBI ID CHEBI:89438
Stars This entity has been manually annotated by a third party.
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Formula C44H82NO8P
Net Charge 0
Average Mass 784.099
Monoisotopic Mass 783.57781
InChI InChI=1S/C44H82NO8P/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/h8,10,14,16,20,22,42H,6-7,9,11-13,15,17-19,21,23-41H2,1-5H3/b10-8-,16-14-,22-20-/t42-/m1/s1
InChIKey QAVRIJZWHPNXBW-BHLPDSGJSA-N
SMILES C([C@@](COC(CCCCCCC/C=C\C/C=C\C/C=C\CC)=O)(OC(CCCCCCCCCCCCCCCCC)=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)/18:0) (CHEBI:89438) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
IUPAC Name
trimethyl(2-{[(2R)-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]-2-(octadecanoyloxy)propyl phosphonato]oxy}ethyl)azanium
Synonyms Sources
1-a-Linolenoyl-2-stearoyl-sn-glycero-3-phosphocholine HMDB
1-alpha-Linolenoyl-2-stearoyl-sn-glycero-3-phosphocholine HMDB
GPCho(18:3/18:0) HMDB
GPCho(18:3n3/18:0) HMDB
GPCho(18:3w3/18:0) HMDB
GPCho(36:3) HMDB
Lecithin HMDB
PC aa C36:3 HMDB
PC(18:3/18:0) HMDB
PC(18:3n3/18:0) HMDB
PC(18:3w3/18:0) HMDB
PC(36:3) HMDB
Phosphatidylcholine(18:3/18:0) HMDB
Phosphatidylcholine(18:3n3/18:0) HMDB
Phosphatidylcholine(18:3w3/18:0) HMDB
Phosphatidylcholine(36:3) HMDB
Manual Xrefs Databases
HMDB0008201 HMDB
Lecithin Wikipedia
PHOSPHATIDYLCHOLINE MetaCyc
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Citation Waiting for Citations Type Source
24023812 PubMed citation Europe PMC