CHEBI:27832 - 17α,21-dihydroxypregnenolone

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ChEBI Name 17α,21-dihydroxypregnenolone
ChEBI ID CHEBI:27832
ChEBI ASCII Name 17alpha,21-dihydroxypregnenolone
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:786, CHEBI:19170
Supplier Information
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Formula C21H32O4
Net Charge 0
Average Mass 348.47638
Monoisotopic Mass 348.23006
InChI InChI=1S/C21H32O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h3,14-17,22-23,25H,4-12H2,1-2H3/t14-,15+,16-,17-,19-,20-,21-/m0/s1
InChIKey JNHJGXQUDOYJAK-IYRCEVNGSA-N
SMILES [H][C@@]12CC=C3C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1(O)C(=O)CO
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Source: BioModels - MODEL1507180067 See: PubMed
Roles Classification
Biological Role(s): mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
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ChEBI Ontology
Outgoing 17α,21-dihydroxypregnenolone (CHEBI:27832) has functional parent pregnenolone (CHEBI:16581)
17α,21-dihydroxypregnenolone (CHEBI:27832) has role mouse metabolite (CHEBI:75771)
17α,21-dihydroxypregnenolone (CHEBI:27832) is a 17α-hydroxy steroid (CHEBI:35342)
17α,21-dihydroxypregnenolone (CHEBI:27832) is a 21-hydroxy steroid (CHEBI:35344)
17α,21-dihydroxypregnenolone (CHEBI:27832) is a 3β-hydroxy-Δ5-steroid (CHEBI:1722)
17α,21-dihydroxypregnenolone (CHEBI:27832) is a primary α-hydroxy ketone (CHEBI:139590)
17α,21-dihydroxypregnenolone (CHEBI:27832) is a tertiary α-hydroxy ketone (CHEBI:139592)
IUPAC Name
3β,17,21-trihydroxypregn-5-en-20-one
Synonym Source
17alpha,21-Dihydroxypregnenolone KEGG COMPOUND
Manual Xref Database
C05487 KEGG COMPOUND
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Registry Numbers Types Sources
1167-48-2 CAS Registry Number ChemIDplus
3218570 Beilstein Registry Number Beilstein
Last Modified
06 February 2018