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CHEBI:175639 - 2-beta-hydroxymedroxyprogesterone

ChEBI IDCHEBI:175639
ChEBI Name2-beta-hydroxymedroxyprogesterone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H32O4
Net Charge0
Average Mass360.494
Monoisotopic Mass360.23006
SMILESCC(=O)[C@@]1(O)CCC2C3C[C@H](C)C4=CC(=O)[C@@H](O)C[C@]4(C)C3CC[C@@]21C
InChIInChI=1S/C22H32O4/c1-12-9-14-15(20(3)11-19(25)18(24)10-17(12)20)5-7-21(4)16(14)6-8-22(21,26)13(2)23/h10,12,14-16,19,25-26H,5-9,11H2,1-4H3/t12-,14?,15?,16?,19-,20+,21-,22-/m0/s1
InChIKeyBGEJDLFWYUUIAP-CFHVOHOGSA-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)
2-beta-hydroxymedroxyprogesterone (CHEBI:175639) is a corticosteroid hormone (CHEBI:36699)
IUPAC Name 
(2S,6S,10R,13S,17R)-17-acetyl-2,17-dihydroxy-6,10,13-trimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
Manual XrefsDatabases
HMDB0061064HMDB