CHEBI:177470 - Cloprostenol

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Cloprostenol
ChEBI ID CHEBI:177470
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C22H29ClO6
Net Charge 0
Average Mass 424.920
Monoisotopic Mass 424.16527
InChI InChI=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
InChIKey VJGGHXVGBSZVMZ-QIZQQNKQSA-N
SMILES ClC=1C=C(OC[C@H](O)\C=C\[C@@H]2[C@H]([C@@H](O)C[C@H]2O)C/C=C\CCCC(O)=O)C=CC1
Metabolite of Species Details
Sus scrofa (NCBI:txid9823) Found in Sausage (ENVO:00002166). See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xrefs Databases
4470590 ChemSpider
D02727 KEGG DRUG
DB11507 KEGG DRUG
LSM-43613 LINCS
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Registry Number Type Source
40665-92-7 CAS Registry Number ChemIDplus