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

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ChEBI Name 5α-dihydrotestosterone 17-O-[β-D-glucuronosyl-(1→2)-glucuronide](2−) ChEBI ID CHEBI:136916 ChEBI ASCII Name 5alpha-dihydrotestosterone 17-O-[beta-D-glucuronosyl-(1->2)-glucuronide](2-) Definition A 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. Stars This entity has been manually annotated by the ChEBI Team. Submitter Nevila Nouspikel 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 C31H44O14 Net Charge -2 Average Mass 640.674 Monoisotopic Mass 640.27420 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)/p-2/t12-,14-,15-,16-,17-,18-,19-,20-,21-,22+,23-,24-,25+,28-,29+,30-,31-/m0/s1 InChIKey HCBFNYJWBTZVOD-ZLLOFXDPSA-L 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](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 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 Sources (5α,17β)-3-oxoandrostan-17-yl 2-O-β-D-glucopyranuronosyl-β-D-glucopyranosiduronate IUPAC 5α-dihydrotestosterone 17-[β-D-glucuronosyl-(1→2)-glucuronate](2−) ChEBI 5α-dihydrotestosterone 17-O-[β-D-glucuronosyl-(1→2)-glucuronate] UniProt Citation Type Source 16595710 PubMed citation SUBMITTER Last Modified 13 July 2017