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.
Supplier Information
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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 Waiting for Citations Type Source
22770225 PubMed citation Europe PMC
Last Modified
08 November 2012