EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:89180 - PC(20:3(5Z,8Z,11Z)/P-18:0)

ChEBI IDCHEBI:89180
ChEBI NamePC(20:3(5Z,8Z,11Z)/P-18:0)
Stars
DownloadsMolfile
FormulaC46H86NO7P
Net Charge0
Average Mass796.168
Monoisotopic Mass795.61419
SMILESCCCCCCCC/C=C\C/C=C\C/C=C\CCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)O/C=C\CCCCCCCCCCCCCCCC
InChIInChI=1S/C46H86NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-46(48)52-43-45(44-54-55(49,50)53-42-40-47(3,4)5)51-41-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h20,22,25,27,31,33,38,41,45H,6-19,21,23-24,26,28-30,32,34-37,39-40,42-44H2,1-5H3/b22-20-,27-25-,33-31-,41-38-
InChIKeyPLWKPRNKSDXLNG-KZWPABEFSA-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)/P-18:0) (CHEBI:89180) is a glycerophosphocholine (CHEBI:36313)
Synonyms  Source
1-Meadoyl-2-(1-enyl-stearoyl)-sn-glycero-3-phosphocholineHMDB
PC(20:3n9/18:0)HMDB
Phosphatidylcholine(38:3)HMDB
Phosphatidylcholine(20:3w9/18:0)HMDB
LecithinHMDB
GPCho(20:3/18:0)HMDB
Manual XrefsDatabases
LecithinWikipedia
HMDB0008391HMDB
PHOSPHATIDYLCHOLINEMetaCyc
Citations