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CHEBI:180942 - PGE2-d4

ChEBI IDCHEBI:180942
ChEBI NamePGE2-d4
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H28D4O5
Net Charge0
Average Mass356.495
Monoisotopic Mass356.25008
SMILES[2H]C([2H])(/C=C\C[C@H]1C(=O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)CCCCC)C([2H])([2H])CC(=O)O
InChIInChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,19+/m0/s1/i5D2,8D2
InChIKeyXEYBRNLFEZDVAW-YOLMOHOWSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS1183)
ChEBI Ontology
Outgoing Relation(s)
PGE2-d4 (CHEBI:180942) is a prostanoid (CHEBI:26347)
IUPAC Name 
(Z)-3,3,4,4-tetradeuterio-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]hept-5-enoic acid
Manual XrefsDatabases
4446158ChemSpider
LMFA03010008LIPID MAPS