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CHEBI:230068 - PGP(18:0/6 keto-PGF1alpha)

ChEBI IDCHEBI:230068
ChEBI NamePGP(18:0/6 keto-PGF1alpha)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H82O17P2
Net Charge0
Average Mass945.071
Monoisotopic Mass944.50272
SMILESCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](O)COP(=O)(O)O)OC(=O)CCCCC(=O)C[C@@H]1[C@@H](/C=C/[C@@H](O)CCCCC)[C@H](O)C[C@@H]1O
InChIInChI=1S/C44H82O17P2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-20-25-43(50)57-33-38(34-60-63(55,56)59-32-37(47)31-58-62(52,53)54)61-44(51)26-22-21-24-36(46)29-40-39(41(48)30-42(40)49)28-27-35(45)23-19-6-4-2/h27-28,35,37-42,45,47-49H,3-26,29-34H2,1-2H3,(H,55,56)(H2,52,53,54)/b28-27+/t35-,37-,38+,39+,40+,41+,42-/m0/s1
InChIKeyXJMNXFVZHQYCMK-NCRROXFBSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
PGP(18:0/6 keto-PGF1alpha) (CHEBI:230068) is a prostanoid (CHEBI:26347)
IUPAC Name 
[(2R)-2-[7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]-6-oxoheptanoyl]oxy-3-[hydroxy-[(2S)-2-hydroxy-3-phosphonooxypropoxy]phosphoryl]oxypropyl] octadecanoate
Manual XrefsDatabases
128428106ChemSpider
HMDB0272528HMDB