CHEBI:20659 - 5β-androstane

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 5β-androstane
ChEBI ID CHEBI:20659
ChEBI ASCII Name 5beta-androstane
Definition The 5β-stereoisomer of androstane.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information eMolecules:8294112
Download Molfile XML SDF
Formula C19H32
Net Charge 0
Average Mass 260.45738
Monoisotopic Mass 260.25040
InChI InChI=1S/C19H32/c1-18-11-5-7-16(18)15-9-8-14-6-3-4-12-19(14,2)17(15)10-13-18/h14-17H,3-13H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1
InChIKey QZLYKIGBANMMBK-DYKIIFRCSA-N
SMILES [H][C@@]12CCCC[C@]1(C)[C@@]1([H])CC[C@]3(C)CCC[C@@]3([H])[C@]1([H])CC2
ChEBI Ontology
Outgoing 5β-androstane (CHEBI:20659) is a androstane (CHEBI:35509)
Incoming 17β-hydroxy-5β-androst-1-en-3-one (CHEBI:87331) has functional parent 5β-androstane (CHEBI:20659)
3α-hydroxy-5β-androstan-17-one (CHEBI:28195) has parent hydride 5β-androstane (CHEBI:20659)
epietiocholanolone (CHEBI:89524) has parent hydride 5β-androstane (CHEBI:20659)
IUPAC Name
5β-androstane
Registry Number Type Source
2500892 Reaxys Registry Number Reaxys
Last Modified
07 October 2021