CHEBI:177626 - Ciprostene

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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 Ciprostene
ChEBI ID CHEBI:177626
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H36O4
Net Charge 0
Average Mass 364.526
Monoisotopic Mass 364.26136
InChI InChI=1S/C22H36O4/c1-3-4-5-9-17(23)11-12-18-19-13-16(8-6-7-10-21(25)26)14-22(19,2)15-20(18)24/h8,11-12,17-20,23-24H,3-7,9-10,13-15H2,1-2H3,(H,25,26)/b12-11+,16-8-/t17-,18+,19+,20+,22-/m0/s1
InChIKey VKPYUUBEDXIQIB-QBPWRKFFSA-N
SMILES O[C@H]1[C@@H]([C@@]2([C@](C1)(C/C(/C2)=C\CCCC(O)=O)C)[H])/C=C/[C@@H](O)CCCCC
Metabolite of Species Details
Sus scrofa (NCBI:txid9823) Found in sausage (ENVO:00002166). See: MetaboLights Study
ChEBI Ontology
Outgoing Ciprostene (CHEBI:177626) is a prostanoid (CHEBI:26347)
IUPAC Name
(5Z)-5-[(3aR,4R,5R,6aS)-5-hydroxy-4-[(E,3S)-3-hydroxyoct-1-enyl]-6a-methyl-1,3,3a,4,5,6-hexahydropentalen-2-ylidene]pentanoic acid
Manual Xref Database
4943416 ChemSpider
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Registry Number Type Source
81845-44-5 CAS Registry Number ChemIDplus