dehydroisoandrosterone 3-glucuronide (CHEBI:68834)

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CHEBI:68834 - dehydroisoandrosterone 3-glucuronide

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ChEBI ID	CHEBI:68834
ChEBI Name	dehydroisoandrosterone 3-glucuronide
Stars
Definition	A steroid glucosiduronic acid having dehydroepiandrosterone as the steroid component.
Last Modified	8 November 2012
Submitter	mwilliams
Downloads	Molfile

Formula	C25H36O8
Net Charge	0
Average Mass	464.555
Monoisotopic Mass	464.24102
SMILES	[H][C@@]12CC=C3C[C@@H](O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)C(=O)CC[C@@]21[H]
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

Roles Classification

Biological Role:

metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.

ChEBI Ontology

Outgoing Relation(s)
	dehydroisoandrosterone 3-glucuronide (CHEBI:68834) has functional parent dehydroepiandrosterone (CHEBI:28689)
	dehydroisoandrosterone 3-glucuronide (CHEBI:68834) has functional parent β-D-glucuronic acid (CHEBI:28860)
	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 Relation(s)
Incoming Relation(s)	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	Source
dehydroepiandrosterone 3-glucuronide	ChEBI
dehydroisoandrosterone glucopyranuronoside	ChEBI
Dehydroepiandrosterone glucopyranuronoside	HMDB

Manual Xrefs	Databases
HMDB0010327	HMDB
HMDB0010348	HMDB
LMST05010045	LIPID MAPS

Registry Numbers	Sources
Reaxys:66896	Reaxys

Citations