EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:231027 - PG(18:3(6Z,9Z,12Z)/20:3(6,8,11)-OH(5))

ChEBI IDCHEBI:231027
ChEBI NamePG(18:3(6Z,9Z,12Z)/20:3(6,8,11)-OH(5))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H75O11P
Net Charge0
Average Mass811.047
Monoisotopic Mass810.50470
SMILESCCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](O)CO)OC(=O)CCCC(O)/C=C/C=C/C/C=C/CCCCCCCC
InChIInChI=1S/C44H75O11P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-34-43(48)52-38-42(39-54-56(50,51)53-37-41(47)36-45)55-44(49)35-31-33-40(46)32-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h11,13,17-19,21-22,24-25,27,29,32,40-42,45-47H,3-10,12,14-16,20,23,26,28,30-31,33-39H2,1-2H3,(H,50,51)/b13-11-,18-17-,21-19+,24-22-,27-25+,32-29+/t40?,41-,42+/m0/s1
InChIKeyLEXWEAWSAMQPDL-UOOLCARQSA-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(18:3(6Z,9Z,12Z)/20:3(6,8,11)-OH(5)) (CHEBI:231027) is a phosphatidylglycerol (CHEBI:17517)
IUPAC Name 
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxypropan-2-yl] (6E,8E,11E)-5-hydroxyicosa-6,8,11-trienoate
Manual XrefsDatabases
117224256ChemSpider
HMDB0269381HMDB