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CHEBI:34152 - 12alpha-Bromo-11beta-hydroxypregn-4-ene-3,20-dione

ChEBI IDCHEBI:34152
ChEBI Name12alpha-Bromo-11beta-hydroxypregn-4-ene-3,20-dione
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC21H29BrO3
Net Charge0
Average Mass409.364
Monoisotopic Mass408.13001
SMILES[H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])[C@@H](O)[C@H](Br)[C@]1(C)[C@@H](C(C)=O)CC[C@]12[H]
InChIInChI=1S/C21H29BrO3/c1-11(23)15-6-7-16-14-5-4-12-10-13(24)8-9-20(12,2)17(14)18(25)19(22)21(15,16)3/h10,14-19,25H,4-9H2,1-3H3/t14-,15+,16-,17+,18+,19-,20-,21+/m0/s1
InChIKeyBJZVIASULZGRCL-YRCLAMMRSA-N
Roles Classification
Biological Role:
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.
ChEBI Ontology
Outgoing Relation(s)
12alpha-Bromo-11beta-hydroxypregn-4-ene-3,20-dione (CHEBI:34152) is a corticosteroid hormone (CHEBI:36699)
Synonyms  Source
12alpha-Bromo-11beta-hydroxypregn-4-ene-3,20-dioneKEGG COMPOUND
11beta-Hydroxy-12alpha-bromoprogesteroneKEGG COMPOUND
Manual XrefsDatabases
C14669KEGG COMPOUND
Registry NumbersSources
CAS:1242-47-3KEGG COMPOUND