CHEBI:89603 - PC(18:1(9Z)/18:4(6Z,9Z,12Z,15Z))

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ChEBI Name PC(18:1(9Z)/18:4(6Z,9Z,12Z,15Z))
ChEBI ID CHEBI:89603
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/h9,11,15,17,20-23,27,29,42H,6-8,10,12-14,16,18-19,24-26,28,30-41H2,1-5H3/b11-9-,17-15-,22-20-,23-21-,29-27-/t42-/m1/s1
InChIKey VTBLOCMXAXXMCO-ITFWVWPTSA-N
SMILES C([C@@](COC(CCCCCCC/C=C\CCCCCCCC)=O)(OC(CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)=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(18:1(9Z)/18:4(6Z,9Z,12Z,15Z)) (CHEBI:89603) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
Synonyms Sources
1-Oleoyl-2-stearidonoyl-sn-glycero-3-phosphocholine HMDB
GPCho(18:1/18:4) HMDB
GPCho(18:1n9/18:4n3) HMDB
GPCho(18:1w9/18:4w3) HMDB
GPCho(36:5) HMDB
Lecithin HMDB
PC aa C36:5 HMDB
PC(18:1/18:4) HMDB
PC(18:1n9/18:4n3) HMDB
PC(18:1w9/18:4w3) HMDB
PC(36:5) HMDB
Phosphatidylcholine(18:1/18:4) HMDB
Phosphatidylcholine(18:1n9/18:4n3) HMDB
Phosphatidylcholine(18:1w9/18:4w3) HMDB
Phosphatidylcholine(36:5) HMDB
trimethyl(2-{[(2R)-3-[(9Z)-octadec-9-enoyloxy]-2-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]propyl phosphonato]oxy}ethyl)azanium HMDB
Manual Xrefs Databases
HMDB0008108 HMDB
Lecithin Wikipedia
PHOSPHATIDYLCHOLINE MetaCyc
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