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CHEBI:180617 - Tiaprost

ChEBI IDCHEBI:180617
ChEBI NameTiaprost
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H28O6S
Net Charge0
Average Mass396.505
Monoisotopic Mass396.16066
SMILESO=C(O)CCC/C=C\C[C@@H]1[C@@H](/C=C/C(O)COc2ccsc2)[C@H](O)C[C@@H]1O
InChIInChI=1S/C20H28O6S/c21-14(12-26-15-9-10-27-13-15)7-8-17-16(18(22)11-19(17)23)5-3-1-2-4-6-20(24)25/h1,3,7-10,13-14,16-19,21-23H,2,4-6,11-12H2,(H,24,25)/b3-1-,8-7+/t14?,16-,17-,18+,19-/m1/s1
InChIKeyFYBFDIIAPRHIQS-JRSBLEPXSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) pancreas (BTO:0000988) MetaboLights (MTBLS1925) Strain: PANC-1 cell [BCGO:0000122]
ChEBI Ontology
Outgoing Relation(s)
Tiaprost (CHEBI:180617) is a prostanoid (CHEBI:26347)
IUPAC Name 
(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E)-3-hydroxy-4-thiophen-3-yloxybut-1-enyl]cyclopentyl]hept-5-enoic acid
Manual XrefsDatabases
D08591KEGG DRUG
4946020ChemSpider
Registry NumbersSources
CAS:71116-82-0ChemIDplus