EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:231173 - PC(18:1(11Z)/20:4(5Z,8Z,11Z,14Z)-OH(20))

ChEBI IDCHEBI:231173
ChEBI NamePC(18:1(11Z)/20:4(5Z,8Z,11Z,14Z)-OH(20))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H82NO9P
Net Charge0
Average Mass824.134
Monoisotopic Mass823.57272
SMILESCCCCCC/C=C\CCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCO
InChIInChI=1S/C46H82NO9P/c1-5-6-7-8-9-10-11-12-16-19-22-25-28-31-34-37-45(49)53-42-44(43-55-57(51,52)54-41-39-47(2,3)4)56-46(50)38-35-32-29-26-23-20-17-14-13-15-18-21-24-27-30-33-36-40-48/h10-11,13,15,17,20-21,24,26,29,44,48H,5-9,12,14,16,18-19,22-23,25,27-28,30-43H2,1-4H3/b11-10-,15-13-,20-17-,24-21-,29-26-/t44-/m1/s1
InChIKeyDSAKYMDDKQHTDM-DHHKAULSSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
PC(18:1(11Z)/20:4(5Z,8Z,11Z,14Z)-OH(20)) (CHEBI:231173) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
IUPAC Name 
[(2R)-2-[(5Z,8Z,11Z,14Z)-20-hydroxyicosa-5,8,11,14-tetraenoyl]oxy-3-[(Z)-octadec-11-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual XrefsDatabases
HMDB0286315HMDB