EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:230313 - PG(i-24:0/20:3(8Z,11Z,14Z)-2OH(5,6))

ChEBI IDCHEBI:230313
ChEBI NamePG(i-24:0/20:3(8Z,11Z,14Z)-2OH(5,6))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC50H93O12P
Net Charge0
Average Mass917.256
Monoisotopic Mass916.64047
SMILESCCCCC/C=C\C/C=C\C/C=C\CC(O)C(O)CCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)COP(=O)(O)OC[C@@H](O)CO
InChIInChI=1S/C50H93O12P/c1-4-5-6-7-8-9-10-20-23-26-29-32-36-47(53)48(54)37-34-39-50(56)62-46(43-61-63(57,58)60-41-45(52)40-51)42-59-49(55)38-33-30-27-24-21-18-16-14-12-11-13-15-17-19-22-25-28-31-35-44(2)3/h8-9,20,23,29,32,44-48,51-54H,4-7,10-19,21-22,24-28,30-31,33-43H2,1-3H3,(H,57,58)/b9-8-,23-20-,32-29-/t45-,46+,47?,48?/m0/s1
InChIKeyGNUWLDBBMQKUPC-SSLPLMPYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
Roles Classification
Biological Roles:
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
PG(i-24:0/20:3(8Z,11Z,14Z)-2OH(5,6)) (CHEBI:230313) is a phosphatidylglycerol (CHEBI:17517)
IUPAC Name 
[(2R)-2-[(8Z,11Z,14Z)-5,6-dihydroxyicosa-8,11,14-trienoyl]oxy-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxypropyl] 22-methyltricosanoate
Manual XrefsDatabases
HMDB0272233HMDB
117226533ChemSpider