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CHEBI:136916 - 5α-dihydrotestosterone 17-O-[β-D-glucuronosyl-(1→2)-glucuronide](2−)

ChEBI IDCHEBI:136916
ChEBI Name5α-dihydrotestosterone 17-O-[β-D-glucuronosyl-(1→2)-glucuronide](2−)
Stars
ASCII Name5alpha-dihydrotestosterone 17-O-[beta-D-glucuronosyl-(1->2)-glucuronide](2-)
DefinitionA steroid glucuronide anion that is the conjugate base of 5α-dihydrotestosterone 17-O-[β-D-glucuronosyl-(1→2)-glucuronide] arising from deprotonation of the carboxylic acid functions; major species at pH 7.3.
Last Modified13 July 2017
Submitternhn
DownloadsMolfile
FormulaC31H44O14
Net Charge-2
Average Mass640.679
Monoisotopic Mass640.27420
SMILES[H][C@@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@@H](O[C@@H]5O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]5O[C@@H]5O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]5O)CC[C@@]34[H])[C@@]1(C)CCC(=O)C2
InChIInChI=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)/p-2/t12-,14-,15-,16-,17-,18-,19-,20-,21-,22+,23-,24-,25+,28-,29+,30-,31-/m0/s1
InChIKeyHCBFNYJWBTZVOD-ZLLOFXDPSA-L
ChEBI Ontology
Outgoing Relation(s)
5α-dihydrotestosterone 17-O-[β-D-glucuronosyl-(1→2)-glucuronide](2−) (CHEBI:136916) is a androstane conjugate (CHEBI:167106)
5α-dihydrotestosterone 17-O-[β-D-glucuronosyl-(1→2)-glucuronide](2−) (CHEBI:136916) is a dicarboxylic acid dianion (CHEBI:28965)
5α-dihydrotestosterone 17-O-[β-D-glucuronosyl-(1→2)-glucuronide](2−) (CHEBI:136916) is a steroid glucosiduronic acid anion (CHEBI:136637)
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)
Incoming Relation(s)
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)
IUPAC Name 
3-oxo-5α-androstan-17β-yl 2-O-β-D-glucopyranuronosyl-β-D-glucopyranosiduronate
Synonyms  Source
5α-dihydrotestosterone 17-[β-D-glucuronosyl-(1→2)-glucuronate](2−)ChEBI
(5α,17β)-3-oxoandrostan-17-yl 2-O-β-D-glucopyranuronosyl-β-D-glucopyranosiduronateIUPAC
UniProt Name  Source
5α-dihydrotestosterone 17-O-[β-D-glucuronosyl-(1→2)-glucuronate]UniProt
Citations