EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:230316 - PG(i-12:0/18:3(10,12,15)-OH(9))

ChEBI IDCHEBI:230316
ChEBI NamePG(i-12:0/18:3(10,12,15)-OH(9))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H65O11P
Net Charge0
Average Mass704.879
Monoisotopic Mass704.42645
SMILESCC/C=C/C/C=C/C=C/C(O)CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC(C)C)COP(=O)(O)OC[C@@H](O)CO
InChIInChI=1S/C36H65O11P/c1-4-5-6-7-8-13-18-23-32(38)24-19-14-11-16-21-26-36(41)47-34(30-46-48(42,43)45-28-33(39)27-37)29-44-35(40)25-20-15-10-9-12-17-22-31(2)3/h5-6,8,13,18,23,31-34,37-39H,4,7,9-12,14-17,19-22,24-30H2,1-3H3,(H,42,43)/b6-5+,13-8+,23-18+/t32?,33-,34+/m0/s1
InChIKeyLNRANDOGWWYBDX-NCNYEFNJSA-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-12:0/18:3(10,12,15)-OH(9)) (CHEBI:230316) is a phosphatidylglycerol (CHEBI:17517)
IUPAC Name 
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-(10-methylundecanoyloxy)propan-2-yl] (10E,12E,15E)-9-hydroxyoctadeca-10,12,15-trienoate
Manual XrefsDatabases
HMDB0271137HMDB
117225633ChemSpider