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CHEBI:230950 - PG(18:1(12Z)-O(9S,10R)/i-20:0)

ChEBI IDCHEBI:230950
ChEBI NamePG(18:1(12Z)-O(9S,10R)/i-20:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H83O11P
Net Charge0
Average Mass819.111
Monoisotopic Mass818.56730
SMILESCCCCC/C=C\CC1OC1CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](O)CO)OC(=O)CCCCCCCCCCCCCCCCC(C)C
InChIInChI=1S/C44H83O11P/c1-4-5-6-7-20-25-30-41-42(55-41)31-26-21-18-23-27-32-43(47)51-36-40(37-53-56(49,50)52-35-39(46)34-45)54-44(48)33-28-22-17-15-13-11-9-8-10-12-14-16-19-24-29-38(2)3/h20,25,38-42,45-46H,4-19,21-24,26-37H2,1-3H3,(H,49,50)/b25-20-/t39-,40+,41?,42?/m0/s1
InChIKeyQRTUZMYAUFSUGZ-UTQGGDPKSA-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(18:1(12Z)-O(9S,10R)/i-20:0) (CHEBI:230950) is a phosphatidylglycerol (CHEBI:17517)
IUPAC Name 
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-[8-[3-[(Z)-oct-2-enyl]oxiran-2-yl]octanoyloxy]propan-2-yl] 18-methylnonadecanoate
Manual XrefsDatabases
HMDB0271937HMDB
117226289ChemSpider