EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:89196 - PC(20:3(5Z,8Z,11Z)/22:1(13Z))

ChEBI IDCHEBI:89196
ChEBI NamePC(20:3(5Z,8Z,11Z)/22:1(13Z))
Stars
DownloadsMolfile
FormulaC50H92NO8P
Net Charge0
Average Mass866.259
Monoisotopic Mass865.65606
SMILES[H][C@@](COC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC)(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C50H92NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h20-23,28,30,34,36,48H,6-19,24-27,29,31-33,35,37-47H2,1-5H3/b22-20-,23-21-,30-28-,36-34-/t48-/m1/s1
InChIKeyQLUBHBLHAFOGNI-FLBVHRRTSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
saliva (UBERON:0001836) Article (Dame, ZT. et al. (2014) The Human Saliva Metabolome (manuscript in preparation))
urine (BTO:0001419) PubMed (24023812)
ChEBI Ontology
Outgoing Relation(s)
PC(20:3(5Z,8Z,11Z)/22:1(13Z)) (CHEBI:89196) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
Synonyms  Source
LecithinHMDB
PC aa C42:4HMDB
(2-{[(2R)-2-[(13Z)-docos-13-enoyloxy]-3-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyloxy]propyl phosphonato]oxy}ethyl)trimethylazaniumHMDB
GPCho(20:3w9/22:1w9)HMDB
PC(20:3/22:1)HMDB
GPCho(20:3/22:1)HMDB
Manual XrefsDatabases
HMDB0008382HMDB
PHOSPHATIDYLCHOLINEMetaCyc
LecithinWikipedia
Citations