CHEBI:40836 - 5α-androstane-3β,17α-diol

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ChEBI Name 5α-androstane-3β,17α-diol
ChEBI ID CHEBI:40836
ChEBI ASCII Name 5alpha-androstane-3beta,17alpha-diol
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:36694, CHEBI:40832
Supplier Information
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Formula C19H32O2
Net Charge 0
Average Mass 292.45618
Monoisotopic Mass 292.24023
InChI InChI=1S/C19H32O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-17,20-21H,3-11H2,1-2H3/t12-,13-,14-,15-,16-,17+,18-,19-/m0/s1
InChIKey CBMYJHIOYJEBSB-MFXFBURESA-N
SMILES [H][C@@]12CC[C@@]3([H])[C@]4([H])CC[C@@H](O)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CC[C@H](O)C2
ChEBI Ontology
Outgoing 5α-androstane-3β,17α-diol (CHEBI:40836) is a 17α-hydroxy steroid (CHEBI:35342)
5α-androstane-3β,17α-diol (CHEBI:40836) is a 3β-hydroxy steroid (CHEBI:36836)
5α-androstane-3β,17α-diol (CHEBI:40836) is a androstane-3,17-diol (CHEBI:27727)
Incoming 5α-androstane-3β,17α-diol disulfate (CHEBI:133112) has functional parent 5α-androstane-3β,17α-diol (CHEBI:40836)
IUPAC Name
5α-androstane-3β,17α-diol
Synonym Source
5-ALPHA-ANDROSTANE-3-BETA,17-ALPHA-DIOL PDBeChem
Manual Xrefs Databases
AON PDBeChem
DB03926 DrugBank
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Registry Number Type Source
2559487 Beilstein Registry Number Beilstein
Last Modified
22 August 2016