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CHEBI:193234 - PGDM-d4

ChEBI IDCHEBI:193234
ChEBI NamePGDM-d4
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H20D4O7
Net Charge0
Average Mass332.385
Monoisotopic Mass332.17731
SMILES[2H]C([2H])(C(=O)O)C([2H])([2H])C(=O)CC[C@@H]1[C@@H](C/C=C\CC(=O)O)[C@@H](O)C[C@@H]1O
InChIInChI=1S/C16H24O7/c17-10(6-8-16(22)23)5-7-12-11(13(18)9-14(12)19)3-1-2-4-15(20)21/h1-2,11-14,18-19H,3-9H2,(H,20,21)(H,22,23)/b2-1-/t11-,12-,13+,14+/m1/s1/i6D2,8D2
InChIKeyXSGSZQDCVYMZGQ-BNSPUNBTSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS5335)
ChEBI Ontology
Outgoing Relation(s)
PGDM-d4 (CHEBI:193234) is a prostanoid (CHEBI:26347)
IUPAC Name 
6-[(1R,2R,3S,5S)-2-[(Z)-4-carboxybut-2-enyl]-3,5-dihydroxycyclopentyl]-2,2,3,3-tetradeuterio-4-oxohexanoic acid
Manual XrefsDatabases
29342061ChemSpider