5alpha-dihydrotestosterone 17-O-[beta-D-glucuronosyl-(1->2)-glucuronide] (CHEBI:137856)

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

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ChEBI ID	CHEBI:137856
ChEBI Name	5α-dihydrotestosterone 17-O-[β-D-glucuronosyl-(1→2)-glucuronide]
Stars
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.
Last Modified	13 July 2017
Submitter	Steve
Downloads	Molfile

Formula	C31H46O14
Net Charge	0
Average Mass	642.695
Monoisotopic Mass	642.28876
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
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

ChEBI Ontology

Outgoing Relation(s)
	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 Relation(s)
Incoming Relation(s)	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	Source
5α-dihydrotestosterone 17-[β-D-glucuronosyl-(1→2)-glucuronide]	ChEBI
dihydrotestosterone diglucuronide	ChEBI
(5α,17β)-3-oxoandrostan-17-yl 2-O-β-D-glucopyranuronosyl-β-D-glucopyranosiduronic acid	IUPAC

Registry Numbers	Sources
Reaxys:24209294	Reaxys

Citations