CHEBI:27727 - androstane-3,17-diol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name androstane-3,17-diol
ChEBI ID CHEBI:27727
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:2713, CHEBI:22544
Supplier Information ChemicalBook:CB91236269, eMolecules:31239572, eMolecules:31225710, ZINC000005965908
Download Molfile XML SDF
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-CAHXEBCQSA-N
SMILES [H][C@@]12CCC3CC(O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)C(O)CC[C@@]21[H]
ChEBI Ontology
Outgoing androstane-3,17-diol (CHEBI:27727) is a 17-hydroxy steroid (CHEBI:36838)
androstane-3,17-diol (CHEBI:27727) is a 3-hydroxy steroid (CHEBI:36834)
androstane-3,17-diol (CHEBI:27727) is a androstanoid (CHEBI:50402)
Incoming 5α-androstane-3β,17α-diol (CHEBI:40836) is a androstane-3,17-diol (CHEBI:27727)
5α-androstane-3β,17β-diol (CHEBI:18329) is a androstane-3,17-diol (CHEBI:27727)
5β-androstane-3β,17β-diol (CHEBI:36715) is a androstane-3,17-diol (CHEBI:27727)
androstane-3α,17β-diol (CHEBI:18011) is a androstane-3,17-diol (CHEBI:27727)
IUPAC Name
androstane-3,17-diol
Synonyms Sources
Androstane-3,17-diol KEGG COMPOUND
Androstanediol KEGG COMPOUND
Manual Xref Database
C07632 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
25126-76-5 CAS Registry Number ChemIDplus
9220448 Beilstein Registry Number Beilstein
Last Modified
04 August 2014
General Comment
2005-01-26 The form of the steroid with unspecified stereochemistry at C-3, C-5 and C-17.