testosterone 17-glucosiduronic acid (CHEBI:28835)

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CHEBI:28835 - testosterone 17-glucosiduronic acid

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ChEBI ID	CHEBI:28835
ChEBI Name	testosterone 17-glucosiduronic acid
Stars
Definition	A steroid glucosiduronic that is testosterone carrying a glucosiduronic acid residue at position 17.
Secondary ChEBI IDs	CHEBI:9465, CHEBI:26885
Last Modified	21 June 2017
Downloads	Molfile

Formula	C25H36O8
Net Charge	0
Average Mass	464.555
Monoisotopic Mass	464.24102
SMILES	[H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@@]21[H]
InChI	InChI=1S/C25H36O8/c1-24-9-7-13(26)11-12(24)3-4-14-15-5-6-17(25(15,2)10-8-16(14)24)32-23-20(29)18(27)19(28)21(33-23)22(30)31/h11,14-21,23,27-29H,3-10H2,1-2H3,(H,30,31)/t14-,15-,16-,17-,18-,19-,20+,21-,23+,24-,25-/m0/s1
InChIKey	NIKZPECGCSUSBV-HMAFJQTKSA-N

Species of Metabolite	Component	Source	Comments
Homo sapiens (ncbitaxon:9606)	-	DOI (10.1038/nbt.2488)

Roles Classification

Biological Role:

human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).

ChEBI Ontology

Outgoing Relation(s)
	testosterone 17-glucosiduronic acid (CHEBI:28835) has functional parent testosterone (CHEBI:17347)
	testosterone 17-glucosiduronic acid (CHEBI:28835) has role human metabolite (CHEBI:77746)
	testosterone 17-glucosiduronic acid (CHEBI:28835) is a 3-oxo steroid (CHEBI:47788)
	testosterone 17-glucosiduronic acid (CHEBI:28835) is a enone (CHEBI:51689)
	testosterone 17-glucosiduronic acid (CHEBI:28835) is a steroid glucosiduronic acid (CHEBI:26763)
	testosterone 17-glucosiduronic acid (CHEBI:28835) is a β-D-glucosiduronic acid (CHEBI:15341)
	testosterone 17-glucosiduronic acid (CHEBI:28835) is conjugate acid of testosterone 17-O-(β-D-glucuronide)(1−) (CHEBI:136639)
Incoming Relation(s)
Incoming Relation(s)	testosterone 17-O-(β-D-glucuronide)(1−) (CHEBI:136639) is conjugate base of testosterone 17-glucosiduronic acid (CHEBI:28835)

IUPAC Name
3-oxoandrost-4-en-17β-yl β-D-glucopyranosiduronic acid

Synonyms	Source
Testosterone glucuronide	KEGG COMPOUND
Testosterone 17beta-(beta-D-glucuronide)	KEGG COMPOUND
testosterone glucuronoside	ChEBI

Manual Xrefs	Databases
C11134	KEGG COMPOUND
LMST05010012	LIPID MAPS
HMDB0003193	HMDB

Registry Numbers	Sources
Reaxys:65197	Reaxys
CAS:1180-25-2	KEGG COMPOUND

Citations