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CHEBI:88588 - PC(24:0/18:2(9Z,12Z))

ChEBI IDCHEBI:88588
ChEBI NamePC(24:0/18:2(9Z,12Z))
Stars
DownloadsMolfile
FormulaC50H96NO8P
Net Charge0
Average Mass870.291
Monoisotopic Mass869.68736
SMILES[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC
InChIInChI=1S/C50H96NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-29-30-32-34-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51(3,4)5)59-50(53)43-41-39-37-35-33-31-28-21-19-17-15-13-11-9-7-2/h15,17,21,28,48H,6-14,16,18-20,22-27,29-47H2,1-5H3/b17-15-,28-21-/t48-/m1/s1
InChIKeyIIGQXTIUKKRHCT-WPYVRAPFSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
urine (BTO:0001419) PubMed (24023812)
saliva (UBERON:0001836) Article (Dame, ZT. et al. (2014) The Human Saliva Metabolome (manuscript in preparation))
ChEBI Ontology
Outgoing Relation(s)
PC(24:0/18:2(9Z,12Z)) (CHEBI:88588) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
Synonyms  Source
Phosphatidylcholine(24:0/18:2w6)HMDB
PC aa C42:2HMDB
Phosphatidylcholine(42:2)HMDB
GPCho(24:0/18:2w6)HMDB
LecithinHMDB
trimethyl(2-{[(2R)-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]-3-(tetracosanoyloxy)propyl phosphonato]oxy}ethyl)azaniumHMDB
Manual XrefsDatabases
PHOSPHATIDYLCHOLINEMetaCyc
LecithinWikipedia
HMDB0008763HMDB
Citations