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CHEBI:230212 - Latanoprost-d4

ChEBI IDCHEBI:230212
ChEBI NameLatanoprost-d4
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H36D4O5
Net Charge0
Average Mass436.625
Monoisotopic Mass436.31268
SMILES[2H]C([2H])(/C=C\C[C@@H]1[C@@H](CC[C@@H](O)CCc2ccccc2)[C@H](O)C[C@@H]1O)C([2H])([2H])CC(=O)OC(C)C
InChIInChI=1S/C26H40O5/c1-19(2)31-26(30)13-9-4-3-8-12-22-23(25(29)18-24(22)28)17-16-21(27)15-14-20-10-6-5-7-11-20/h3,5-8,10-11,19,21-25,27-29H,4,9,12-18H2,1-2H3/b8-3-/t21-,22+,23+,24-,25+/m0/s1/i4D2,9D2
InChIKeyGGXICVAJURFBLW-XUVAVRMSSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
Latanoprost-d4 (CHEBI:230212) is a prostanoid (CHEBI:26347)
IUPAC Name 
propan-2-yl (Z)-3,3,4,4-tetradeuterio-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]hept-5-enoate
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29341960ChemSpider