CHEBI:197197 - 15beta-hydroxycyproterone acetate

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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 15beta-hydroxycyproterone acetate
ChEBI ID CHEBI:197197
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C24H29ClO5
Net Charge 0
Average Mass 432.940
Monoisotopic Mass 432.17035
InChI InChI=1S/C24H29ClO5/c1-11(26)24(30-12(2)27)10-20(29)21-14-8-18(25)17-9-19(28)13-7-16(13)23(17,4)15(14)5-6-22(21,24)3/h8-9,13-16,20-21,29H,5-7,10H2,1-4H3/t13?,14-,15+,16?,20?,21-,22+,23+,24+/m1/s1
InChIKey HRANPRDGABOKNQ-RXHWKJIASA-N
SMILES ClC=1C=2[C@@]([C@@]3([C@]([C@]4([C@](CC3)([C@](OC(=O)C)(CC4O)C(=O)C)C)[H])(C1)[H])[H])(C5C(C5)C(=O)C2)C
Metabolite of Species Details
Cannabis sativa (NCBI:txid3483) Found in inflorescence (BTO:0000628). of strain Cannabis sativa var. DMG265 See: MetaboLights Study
Roles Classification
Biological Role(s): hormone
Originally referring to an endogenous compound that is formed in specialized organ or group of cells and carried to another organ or group of cells, in the same organism, upon which it has a specific regulatory function, the term is now commonly used to include non-endogenous, semi-synthetic and fully synthetic analogues of such compounds.
(via steroid hormone )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 15beta-hydroxycyproterone acetate (CHEBI:197197) is a corticosteroid hormone (CHEBI:36699)
IUPAC Name
[(1S,2S,11R,12S,15R,16S)-15-acetyl-9-chloro-13-hydroxy-2,16-dimethyl-6-oxo-15-pentacyclo[9.7.0.02,8.03,5.012,16]octadeca-7,9-dienyl] acetate
Manual Xrefs Databases
170395 ChemSpider
HMDB0060708 HMDB
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