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> Main
CHEBI:68834 - dehydroisoandrosterone 3-glucuronide
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ChEBI Name
dehydroisoandrosterone 3-glucuronide
ChEBI ID
CHEBI:68834
Definition
A steroid glucosiduronic acid having dehydroepiandrosterone as the steroid component.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C25H36O8
Net Charge
0
Average Mass
464.54850
Monoisotopic Mass
464.24102
InChI
InChI=1S/C25H36O8/c1-
24-
9-
7-
13(32-
23-
20(29)
18(27)
19(28)
21(33-
23)
22(30)
31)
11-
12(24)
3-
4-
14-
15-
5-
6-
17(26)
25(15,2)
10-
8-
16(14)
24/h3,13-
16,18-
21,23,27-
29H,4-
11H2,1-
2H3,(H,30,31)
/t13-
,14-
,15-
,16-
,18-
,19-
,20+,21-
,23+,24-
,25-
/m0/s1
InChIKey
GLONBVCUAVPJFV-PCDHEYSGSA-N
SMILES
[H]
[C@@]
12CC=C3C[C@H]
(CC[C@]
3(C)
[C@@]
1([H]
)
CC[C@]
1(C)
C(=O)
CC[C@@]
21[H]
)
O[C@@H]
1O[C@@H]
([C@@H]
(O)
[C@H]
(O)
[C@H]
1O)
C(O)
=O
Roles Classification
Biological Role
(s):
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
dehydroisoandrosterone 3-glucuronide (
CHEBI:68834
)
has functional parent
β-
D
-glucuronic acid (
CHEBI:28860
)
dehydroisoandrosterone 3-glucuronide (
CHEBI:68834
)
has functional parent
dehydroepiandrosterone (
CHEBI:28689
)
dehydroisoandrosterone 3-glucuronide (
CHEBI:68834
)
has role
metabolite (
CHEBI:25212
)
dehydroisoandrosterone 3-glucuronide (
CHEBI:68834
)
is a
steroid glucosiduronic acid (
CHEBI:26763
)
dehydroisoandrosterone 3-glucuronide (
CHEBI:68834
)
is conjugate acid of
dehydroepiandrosterone 3-
O
-(β-
D
-glucuronide)(1−) (
CHEBI:178105
)
Incoming
dehydroepiandrosterone 3-
O
-(β-
D
-glucuronide)(1−) (
CHEBI:178105
)
is conjugate base of
dehydroisoandrosterone 3-glucuronide (
CHEBI:68834
)
IUPAC Name
(3β)-17-oxoandrost-5-en-3-yl β-
D
-glucopyranosiduronic acid
Synonyms
Sources
dehydroepiandrosterone 3-glucuronide
ChEBI
Dehydroepiandrosterone glucopyranuronoside
HMDB
dehydroisoandrosterone glucopyranuronoside
ChEBI
Manual Xrefs
Databases
HMDB0010327
HMDB
HMDB0010348
HMDB
LMST05010045
LIPID MAPS
View more database links
Registry Number
Type
Source
66896
Reaxys Registry Number
Reaxys
Citation
Type
Source
22770225
PubMed citation
Europe PMC
Last Modified
08 November 2012