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

MNXM730895 is deprecated and replaced by MNXM1104136
PropertiesImage
MNX_IDMNXM1104136 Image of MNXM1104136
referencechebi:136639
formulaC25H35O8
global charge-1
mol weight463.547
InChIKeyNIKZPECGCSUSBV-HMAFJQTKSA-M
InChIInChI=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
SMILESC[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
MNX internals
InChI (mnx)InChI=1/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 Image of MNXM1104136
SMILES (mnx)[CH3:1][C@:24]12[CH2:9][CH2:7][C:13](=[O:26])[CH:11]=[C:12]1[CH2:3][CH2:4][C@H:14]1[C@@H:15]3[CH2:5][CH2:6][C@H:17]([O:32][C@H:23]4[C@H:20]([OH:29])[C@@H:18]([OH:27])[C@H:19]([OH:28])[C@@H:21]([C:22](=[O:30])[OH:31])[O:33]4)[C@@:25]3([CH3:2])[CH2:10][CH2:8][C@@H:16]12
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 6
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:136639
chebi:136639
NIKZPECGCSUSBV-HMAFJQTKSA-M 		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
NIKZPECGCSUSBV-HMAFJQTKSA-N 		Testosterone 3-glucosiduronic acid
hmdb:HMDB0003193
NIKZPECGCSUSBV-HMAFJQTKSA-N 		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
NIKZPECGCSUSBV-HMAFJQTKSA-N 		Testosterone glucuronide
17beta-hydroxyandrost-4-en-3-one 3-D-glucuronide
GlcA
O2
ST 19:2

seed.compound:cpd08016
seedM:cpd08016
sabiork.compound:13212
sabiorkM:13212
kegg.compound:C11134
keggC:C11134
NIKZPECGCSUSBV-HMAFJQTKSA-M
NIKZPECGCSUSBV-HMAFJQTKSA-N 		Testosterone glucuronide
Testosterone 17beta-(beta-D-glucuronide)

SLM:000597769
slm:000597769
NIKZPECGCSUSBV-HMAFJQTKSA-M 		testosterone 17-O-(beta-D-glucuronate)

CHEBI:28835
chebi:28835
NIKZPECGCSUSBV-HMAFJQTKSA-N 		testosterone 17-glucosiduronic acid
3-oxoandrost-4-en-17beta-yl beta-D-glucopyranosiduronic acid
Testosterone 17beta-(beta-D-glucuronide)
Testosterone glucuronide
testosterone glucuronoside

vmhM:tststeroneglc
vmhmetabolite:tststeroneglc
NIKZPECGCSUSBV-HMAFJQTKSA-N 		testosterone 3-glucosiduronic 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

hmdb:HMDB03193
chebi:26885
chebi:9465
biggM:M_tststeroneglc
keggC:M_C11134
seedM:M_cpd08016
vmhM:M_tststeroneglc 		secondary/obsolete/fantasy identifier