EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:187328 - Latanoprost (free acid)-d4

Default Structure
ChEBI IDCHEBI:187328
ChEBI NameLatanoprost (free acid)-d4
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H30D4O5
Net Charge0
Average Mass394.544
Monoisotopic Mass394.26573
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)O
InChIInChI=1S/C23H34O5/c24-18(13-12-17-8-4-3-5-9-17)14-15-20-19(21(25)16-22(20)26)10-6-1-2-7-11-23(27)28/h1,3-6,8-9,18-22,24-26H,2,7,10-16H2,(H,27,28)/b6-1-/t18-,19+,20+,21-,22+/m0/s1/i2D2,7D2
InChIKeyHNPFPERDNWXAGS-GPPKKVIBSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Latanoprost (free acid)-d4 (CHEBI:187328) is a prostanoid (CHEBI:26347)
IUPAC Name 
(Z)-3,3,4,4-tetradeuterio-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]hept-5-enoic acid
Manual XrefsDatabases
29342041ChemSpider