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testosterone 17-O-(beta-D-glucuronate)

Properties

Image

Occurences in reactions

MNX_ID

MNXM1104136

	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	5

formula

C₂₅H₃₅O₈

charge

-1

mass

463.23374

reference

chebi:136639

InChIKey

NIKZPECGCSUSBV-HMAFJQTKSA-M

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)/p-1/t14-,15-,16-,17-,18-,19-,20+,21-,23+,24-,25-/m0/s1

SMILES

C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O[C@@H]1O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:136639 chebi:136639	testosterone 17-O-(beta-D-glucuronate) 3-oxoandrost-4-en-17beta-yl beta-D-glucopyranosiduronate testosterone 17-O-(beta-D-glucuronide)(1-)
bigg.metabolite:tststeroneglc biggM:tststeroneglc	Testosterone 3-glucosiduronic acid
hmdb:HMDB0003193	Testosterone glucuronide (17b)-3-Oxoandrost-4-en-17-yl b-D-glucopyranosiduronic acid (2S,3S,4S,5R,6R)-6-{[(1S,2R,10R,11S,14S,15S)-2,15-dimethyl-5-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-6-en-14-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid (alpha)-Isomer OF testosterone glucuronate Epitestosterone glucuronide Testosterone 17-glucosiduronate Testosterone 17-glucuronide Testosterone 17b-(b-D-glucuronide) Testosterone 17beta-(beta-D-glucuronide) Testosterone glucopyranuronoside Testosterone glucosiduronide Testosterone glucuronate Testosterone glucuronoside Testosterone-glucuronide b-D-3-Oxoandrost-4-en-17b-yl glucopyranosiduronic acid b-D-Androstane glucopyranosiduronic acid testosterone glucuronide
lipidmaps:LMST05010012 lipidmapsM:LMST05010012	Testosterone glucuronide 17beta-hydroxyandrost-4-en-3-one 3-D-glucuronide GlcA O2 ST 19:2
sabiork.compound:13212 sabiorkM:13212 seed.compound:cpd08016 seedM:cpd08016 kegg.compound:C11134 keggC:C11134	Testosterone glucuronide Testosterone 17beta-(beta-D-glucuronide)
CHEBI:28835 chebi:28835	testosterone 17-glucosiduronic acid 3-oxoandrost-4-en-17beta-yl beta-D-glucopyranosiduronic acid Testosterone 17beta-(beta-D-glucuronide) Testosterone glucuronide testosterone glucuronoside
hmdb:HMDB03193 chebi:26885 chebi:9465 biggM:M_tststeroneglc keggC:M_C11134 seedM:M_cpd08016	secondary/obsolete/fantasy identifier