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CHEBI:177470 - Cloprostenol

ChEBI IDCHEBI:177470
ChEBI NameCloprostenol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H29ClO6
Net Charge0
Average Mass424.921
Monoisotopic Mass424.16527
SMILESO=C(O)CCC/C=C\C[C@@H]1[C@@H](/C=C/[C@@H](O)COc2cccc(Cl)c2)[C@H](O)C[C@@H]1O
InChIInChI=1S/C22H29ClO6/c23-15-6-5-7-17(12-15)29-14-16(24)10-11-19-18(20(25)13-21(19)26)8-3-1-2-4-9-22(27)28/h1,3,5-7,10-12,16,18-21,24-26H,2,4,8-9,13-14H2,(H,27,28)/b3-1-,11-10+/t16-,18-,19-,20+,21-/m1/s1
InChIKeyVJGGHXVGBSZVMZ-QIZQQNKQSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) Sausage (ENVO:00002166) MetaboLights (MTBLS2871)
ChEBI Ontology
Outgoing Relation(s)
Cloprostenol (CHEBI:177470) is a prostanoid (CHEBI:26347)
IUPAC Name 
(Z)-7-[(1R,2R,3R,5S)-2-[(E,3R)-4-(3-chlorophenoxy)-3-hydroxybut-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid
Manual XrefsDatabases
LSM-43613LINCS
D02727KEGG DRUG
DB11507DrugBank
4470590ChemSpider
Registry NumbersSources
CAS:40665-92-7ChemIDplus