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CHEBI:230663 - PGP(a-15:0/18:2(10E,12Z)+=O(9))

ChEBI IDCHEBI:230663
ChEBI NamePGP(a-15:0/18:2(10E,12Z)+=O(9))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H72O14P2
Net Charge0
Average Mass826.939
Monoisotopic Mass826.43973
SMILESCCCCC/C=C\C=C\C(=O)CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC(C)CC)COP(=O)(O)OC[C@@H](O)COP(=O)(O)O
InChIInChI=1S/C39H72O14P2/c1-4-6-7-8-11-16-21-26-35(40)27-22-17-14-19-24-29-39(43)53-37(33-52-55(47,48)51-31-36(41)30-50-54(44,45)46)32-49-38(42)28-23-18-13-10-9-12-15-20-25-34(3)5-2/h11,16,21,26,34,36-37,41H,4-10,12-15,17-20,22-25,27-33H2,1-3H3,(H,47,48)(H2,44,45,46)/b16-11-,26-21+/t34?,36-,37+/m0/s1
InChIKeyDYVJHTXCXOETGN-LFLLBFDZSA-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)
PGP(a-15:0/18:2(10E,12Z)+=O(9)) (CHEBI:230663) is a phosphatidylglycerol phosphate (CHEBI:17264)
IUPAC Name 
[(2R)-1-[hydroxy-[(2S)-2-hydroxy-3-phosphonooxypropoxy]phosphoryl]oxy-3-(12-methyltetradecanoyloxy)propan-2-yl] (10E,12Z)-9-oxooctadeca-10,12-dienoate
Manual XrefsDatabases
HMDB0274419HMDB
117228314ChemSpider