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CHEBI:230720 - PG(18:2(10E,12Z)+=O(9)/16:1(9Z))

ChEBI IDCHEBI:230720
ChEBI NamePG(18:2(10E,12Z)+=O(9)/16:1(9Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H71O11P
Net Charge0
Average Mass758.971
Monoisotopic Mass758.47340
SMILESCCCCC/C=C\C=C\C(=O)CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](O)CO)OC(=O)CCCCCCC/C=C\CCCCCC
InChIInChI=1S/C40H71O11P/c1-3-5-7-9-11-12-13-14-15-16-18-22-27-31-40(45)51-38(35-50-52(46,47)49-33-37(43)32-41)34-48-39(44)30-26-23-19-21-25-29-36(42)28-24-20-17-10-8-6-4-2/h12-13,17,20,24,28,37-38,41,43H,3-11,14-16,18-19,21-23,25-27,29-35H2,1-2H3,(H,46,47)/b13-12-,20-17-,28-24+/t37-,38+/m0/s1
InChIKeyKQCVNENPBHJCFP-DLTLHCFOSA-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(18:2(10E,12Z)+=O(9)/16:1(9Z)) (CHEBI:230720) is a phosphatidylglycerol (CHEBI:17517)
IUPAC Name 
[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-[(Z)-hexadec-9-enoyl]oxypropyl] (10E,12Z)-9-oxooctadeca-10,12-dienoate
Manual XrefsDatabases
HMDB0268710HMDB
117223699ChemSpider