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CHEBI:88731 - PC(22:1(13Z)/20:3(5Z,8Z,11Z))

Default Structure
ChEBI IDCHEBI:88731
ChEBI NamePC(22:1(13Z)/20:3(5Z,8Z,11Z))
Stars
DownloadsMolfile
FormulaC50H92NO8P
Net Charge0
Average Mass866.259
Monoisotopic Mass865.65606
SMILES[H][C@@](COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC
InChIInChI=1S/C50H92NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-28-30-32-34-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51(3,4)5)59-50(53)43-41-39-37-35-33-31-29-26-23-21-19-17-15-13-11-9-7-2/h20-23,29,31,35,37,48H,6-19,24-28,30,32-34,36,38-47H2,1-5H3/b22-20-,23-21-,31-29-,37-35-/t48-/m1/s1
InChIKeyUMAICRBPHIYESB-DNBQMDTNSA-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(22:1(13Z)/20:3(5Z,8Z,11Z)) (CHEBI:88731) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
Synonyms  Source
1-Erucoyl-2-meadoyl-sn-glycero-3-phosphocholineHMDB
(2-{[(2R)-3-[(13Z)-docos-13-enoyloxy]-2-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyloxy]propyl phosphonato]oxy}ethyl)trimethylazaniumHMDB
GPCho(22:1/20:3)HMDB
GPCho(22:1n9/20:3n9)HMDB
GPCho(22:1w9/20:3w9)HMDB
GPCho(42:4)HMDB
Manual XrefsDatabases
HMDB0008572HMDB
LecithinWikipedia
PHOSPHATIDYLCHOLINEMetaCyc
Citations