CHEBI:137856 - 5α-dihydrotestosterone 17-O-[β-D-glucuronosyl-(1→2)-glucuronide]

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name 5α-dihydrotestosterone 17-O-[β-D-glucuronosyl-(1→2)-glucuronide] ChEBI ID CHEBI:137856 ChEBI ASCII Name 5alpha-dihydrotestosterone 17-O-[beta-D-glucuronosyl-(1->2)-glucuronide] Definition A steroid glucosiduronic acid that is 5α-dihydrotestosterone having a β-D-glucuronosyl-(1→2)-glucuronic acid residue attached at position 17. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C31H46O14 Net Charge 0 Average Mass 642.690 Monoisotopic Mass 642.28876 InChI InChI=1S/C31H46O14/c1-30-9-7-13(32)11-12(30)3-4-14-15-5-6-17(31(15,2)10-8-16(14)30)42-29-25(21(36)20(35)24(44-29)27(40)41)45-28-22(37)18(33)19(34)23(43-28)26(38)39/h12,14-25,28-29,33-37H,3-11H2,1-2H3,(H,38,39)(H,40,41)/t12-,14-,15-,16-,17-,18-,19-,20-,21-,22+,23-,24-,25+,28-,29+,30-,31-/m0/s1 InChIKey HCBFNYJWBTZVOD-ZLLOFXDPSA-N SMILES C1[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC[C@]2(CC(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[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(O)=O)O)O)O)[H])C)[H])C ChEBI Ontology Outgoing 5α-dihydrotestosterone 17-O-[β-D-glucuronosyl-(1→2)-glucuronide] (CHEBI:137856) has functional parent 17β-hydroxy-5α-androstan-3-one (CHEBI:16330) 5α-dihydrotestosterone 17-O-[β-D-glucuronosyl-(1→2)-glucuronide] (CHEBI:137856) is a 3-oxo-5α-steroid (CHEBI:13601) 5α-dihydrotestosterone 17-O-[β-D-glucuronosyl-(1→2)-glucuronide] (CHEBI:137856) is a disaccharide derivative (CHEBI:63353) 5α-dihydrotestosterone 17-O-[β-D-glucuronosyl-(1→2)-glucuronide] (CHEBI:137856) is a steroid glucosiduronic acid (CHEBI:26763) 5α-dihydrotestosterone 17-O-[β-D-glucuronosyl-(1→2)-glucuronide] (CHEBI:137856) is conjugate acid of 5α-dihydrotestosterone 17-O-[β-D-glucuronosyl-(1→2)-glucuronide](2−) (CHEBI:136916) Incoming 5α-dihydrotestosterone 17-O-[β-D-glucuronosyl-(1→2)-glucuronide](2−) (CHEBI:136916) is conjugate base of 5α-dihydrotestosterone 17-O-[β-D-glucuronosyl-(1→2)-glucuronide] (CHEBI:137856) IUPAC Name 3-oxo-5α-androstan-17β-yl 2-O-β-D-glucopyranuronosyl-β-D-glucopyranosiduronic acid Synonyms Sources (5α,17β)-3-oxoandrostan-17-yl 2-O-β-D-glucopyranuronosyl-β-D-glucopyranosiduronic acid IUPAC 5α-dihydrotestosterone 17-[β-D-glucuronosyl-(1→2)-glucuronide] ChEBI dihydrotestosterone diglucuronide ChEBI Registry Number Type Source 24209294 Reaxys Registry Number Reaxys Citation Type Source 16595710 PubMed citation Europe PMC Last Modified 13 July 2017