EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:89070 - PC(22:0/20:2(11Z,14Z))

Default Structure
ChEBI IDCHEBI:89070
ChEBI NamePC(22:0/20:2(11Z,14Z))
Stars
DownloadsMolfile
FormulaC50H96NO8P
Net Charge0
Average Mass870.291
Monoisotopic Mass869.68736
SMILES[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC
InChIInChI=1S/C50H96NO8P/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/h15,17,21,23,48H,6-14,16,18-20,22,24-47H2,1-5H3/b17-15-,23-21-/t48-/m1/s1
InChIKeyLFYYYSNBZJRBSA-HHITYQTISA-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(22:0/20:2(11Z,14Z)) (CHEBI:89070) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
Synonyms  Source
1-Behenoyl-2-eicosadienoyl-sn-glycero-3-phosphocholineHMDB
(2-{[(2R)-3-(docosanoyloxy)-2-[(11Z,14Z)-icosa-11,14-dienoyloxy]propyl phosphonato]oxy}ethyl)trimethylazaniumHMDB
GPCho(22:0/20:2)HMDB
GPCho(22:0/20:2n6)HMDB
GPCho(22:0/20:2w6)HMDB
GPCho(42:2)HMDB
Manual XrefsDatabases
HMDB0008539HMDB
LecithinWikipedia
PHOSPHATIDYLCHOLINEMetaCyc
Citations