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CHEBI:186015 - Prostaglandin A2-d4

ChEBI IDCHEBI:186015
ChEBI NameProstaglandin A2-d4
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H26D4O4
Net Charge0
Average Mass338.480
Monoisotopic Mass338.23952
SMILES[2H]C([2H])(/C=C\C[C@H]1C(=O)C=C[C@@H]1/C=C/[C@@H](O)CCCCC)C([2H])([2H])CC(=O)O
InChIInChI=1S/C20H30O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h4,7,12-18,21H,2-3,5-6,8-11H2,1H3,(H,23,24)/b7-4-,14-12+/t16-,17-,18+/m0/s1/i5D2,8D2
InChIKeyMYHXHCUNDDAEOZ-IDCRMVQDSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Prostaglandin A2-d4 (CHEBI:186015) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
(Z)-3,3,4,4-tetradeuterio-7-[(1R,2S)-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopent-3-en-1-yl]hept-5-enoic acid
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