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CHEBI:231049 - DG(18:0/6 keto-PGF1alpha/0:0)

ChEBI IDCHEBI:231049
ChEBI NameDG(18:0/6 keto-PGF1alpha/0:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H74O9
Net Charge0
Average Mass711.034
Monoisotopic Mass710.53328
SMILESCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)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/C41H74O9/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-20-25-40(47)49-32-35(31-42)50-41(48)26-22-21-24-34(44)29-37-36(38(45)30-39(37)46)28-27-33(43)23-19-6-4-2/h27-28,33,35-39,42-43,45-46H,3-26,29-32H2,1-2H3/b28-27+/t33-,35-,36+,37+,38+,39-/m0/s1
InChIKeyBRDLVKVPRHUGFY-WHIQSMEHSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
DG(18:0/6 keto-PGF1alpha/0:0) (CHEBI:231049) is a prostanoid (CHEBI:26347)
IUPAC Name 
[(2S)-2-[7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]-6-oxoheptanoyl]oxy-3-hydroxypropyl] octadecanoate
Manual XrefsDatabases
117215074ChemSpider
HMDB0295871HMDB