EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:231199 - PG(22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)/i-20:0)

ChEBI IDCHEBI:231199
ChEBI NamePG(22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)/i-20:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC48H83O11P
Net Charge0
Average Mass867.155
Monoisotopic Mass866.56730
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C=C/C(O)CCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](O)CO)OC(=O)CCCCCCCCCCCCCCCCC(C)C
InChIInChI=1S/C48H83O11P/c1-4-5-6-7-8-9-10-11-12-13-17-20-23-26-29-32-35-44(50)37-38-47(52)56-41-46(42-58-60(54,55)57-40-45(51)39-49)59-48(53)36-33-30-27-24-21-18-15-14-16-19-22-25-28-31-34-43(2)3/h5-6,8-9,11-12,17,20,26,29,32,35,43-46,49-51H,4,7,10,13-16,18-19,21-25,27-28,30-31,33-34,36-42H2,1-3H3,(H,54,55)/b6-5-,9-8-,12-11-,20-17-,29-26-,35-32-/t44?,45-,46+/m0/s1
InChIKeyIXZDUMBRDVCJLW-OBQDFUDBSA-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(22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)/i-20:0) (CHEBI:231199) is a phosphatidylglycerol (CHEBI:17517)
IUPAC Name 
[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-(18-methylnonadecanoyloxy)propyl] (5Z,7Z,10Z,13Z,16Z,19Z)-4-hydroxydocosa-5,7,10,13,16,19-hexaenoate
Manual XrefsDatabases
HMDB0271956HMDB
117226308ChemSpider