CHEBI:138022 - 5α-androstane-3β,17β-diol 17-O-(β-D-glucuronide)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 5α-androstane-3β,17β-diol 17-O-(β-D-glucuronide)
ChEBI ID CHEBI:138022
ChEBI ASCII Name 5alpha-androstane-3beta,17beta-diol 17-O-(beta-D-glucuronide)
Definition A steroid glucosiduronic acid that is 5α-androstane-3β,17β-diol having a single β-D-glucuronic acid residue attached at position 17.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C25H40O8
Net Charge 0
Average Mass 468.581
Monoisotopic Mass 468.27232
InChI InChI=1S/C25H40O8/c1-24-9-7-13(26)11-12(24)3-4-14-15-5-6-17(25(15,2)10-8-16(14)24)32-23-20(29)18(27)19(28)21(33-23)22(30)31/h12-21,23,26-29H,3-11H2,1-2H3,(H,30,31)/t12-,13-,14-,15-,16-,17-,18-,19-,20+,21-,23+,24-,25-/m0/s1
InChIKey ZJYZOWMDMWQJIV-JKNXCXBISA-N
SMILES C1[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC[C@]2(C[C@H](C1)O)[H])[H])(CC[C@@H]4O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)[H])C)[H])C
ChEBI Ontology
Outgoing 5α-androstane-3β,17β-diol 17-O-(β-D-glucuronide) (CHEBI:138022) has functional parent 5α-androstane-3β,17β-diol (CHEBI:18329)
5α-androstane-3β,17β-diol 17-O-(β-D-glucuronide) (CHEBI:138022) is a β-D-glucosiduronic acid (CHEBI:15341)
5α-androstane-3β,17β-diol 17-O-(β-D-glucuronide) (CHEBI:138022) is a 3β-hydroxy steroid (CHEBI:36836)
5α-androstane-3β,17β-diol 17-O-(β-D-glucuronide) (CHEBI:138022) is a steroid glucosiduronic acid (CHEBI:26763)
5α-androstane-3β,17β-diol 17-O-(β-D-glucuronide) (CHEBI:138022) is conjugate acid of 5α-androstane-3β,17β-diol 17-O-(β-D-glucuronide)(1−) (CHEBI:136981)
Incoming 5α-androstane-3β,17β-diol 17-O-(β-D-glucuronide)(1−) (CHEBI:136981) is conjugate base of 5α-androstane-3β,17β-diol 17-O-(β-D-glucuronide) (CHEBI:138022)
IUPAC Name
3β-hydroxy-5α-androstan-17β-yl β-D-glucopyranosiduronic acid
Synonyms Sources
(3β,5α,17β)-3-hydroxyandrostan-17-yl β-D-glucopyranosiduronic acid IUPAC
5α-androstane 3β,17β-diol 17-O-glucuronide ChEBI
5α-androstane-3β,17β-diol 17-β-D-glucuronide ChEBI
5α-androstane-3β,17β-diol 17-β-glucuronide ChEBI
5α-androstane-3β,17β-diol 17-glucuronide ChEBI
Registry Number Type Source
24460955 Reaxys Registry Number Reaxys
Last Modified
27 July 2017