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estrone 3-O-(beta-D-glucuronate)

PropertiesImage
MNX_IDMNXM1104134 Image of MNXM1104134
referencechebi:136634
formulaC24H29O8
global charge-1
mol weight445.488
InChIKeyFJAZVHYPASAQKM-JBAURARKSA-M
InChIInChI=1S/C24H30O8/c1-24-9-8-14-13-5-3-12(10-11(13)2-4-15(14)16(24)6-7-17(24)25)31-23-20(28)18(26)19(27)21(32-23)22(29)30/h3,5,10,14-16,18-21,23,26-28H,2,4,6-9H2,1H3,(H,29,30)/p-1/t14-,15-,16+,18+,19+,20-,21+,23-,24+/m1/s1
SMILESC[C@]12CC[C@@H]3C4=C(C=C(O[C@@H]5O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]5O)C=C4)CC[C@H]3[C@@H]1CCC2=O
MNX internals
InChI (mnx)InChI=1/C24H30O8/c1-24-9-8-14-13-5-3-12(10-11(13)2-4-15(14)16(24)6-7-17(24)25)31-23-20(28)18(26)19(27)21(32-23)22(29)30/h3,5,10,14-16,18-21,23,26-28H,2,4,6-9H2,1H3,(H,29,30)/t14-,15-,16+,18+,19+,20-,21+,23-,24+/m1/s1 Image of MNXM1104134
SMILES (mnx)[CH3:1][C@:24]12[CH2:9][CH2:8][C@@H:14]3[C:13]4=[CH:5][CH:3]=[C:12]([O:31][C@H:23]5[C@H:20]([OH:28])[C@@H:18]([OH:26])[C@H:19]([OH:27])[C@@H:21]([C:22](=[O:29])[OH:30])[O:32]5)[CH:10]=[C:11]4[CH2:2][CH2:4][C@H:15]3[C@@H:16]1[CH2:6][CH2:7][C:17]2=[O:25]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)7
in models (compartimentalized) 6
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:136634
chebi:136634
FJAZVHYPASAQKM-JBAURARKSA-M 		estrone 3-O-(beta-D-glucuronate)
17-oxoestra-1,3,5(10)-trien-3-yl beta-D-glucopyranosiduronate
estrone 3-O-(beta-D-glucuronide)(1-)

bigg.metabolite:estroneglc
biggM:estroneglc
FJAZVHYPASAQKM-JBAURARKSA-N 		Estrone 3-glucosiduronic acid

lipidmaps:LMST05010011
lipidmapsM:LMST05010011
FJAZVHYPASAQKM-JBAURARKSA-N 		Estrone 3-glucuronide
3-hydroxy-estra-1,3,5(10)-trien-17-one 3-D-glucuronide
GlcA
O2
ST 18:4
hmdb:HMDB0004483
FJAZVHYPASAQKM-JBAURARKSA-N 		Estrone glucuronide
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{[(1S,10R,11S,15S)-15-methyl-14-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-2,4,6-trien-5-yl]oxy}oxane-2-carboxylic acid
Estrone 3-glucosiduronate
Estrone 3-glucosiduronic acid
Estrone 3-glucuronide
Estrone b-D-glucuronide
Estrone beta-D-glucuronide
Estrone beta-delta-glucuronide
Estrone-3-glucosiduronate
Estrone-3-glucosiduronic acid
Estrone-3-glucuronide
estrone-3-glucuronide

seed.compound:cpd08015
seedM:cpd08015
kegg.compound:C11133
keggC:C11133
FJAZVHYPASAQKM-JBAURARKSA-M
FJAZVHYPASAQKM-JBAURARKSA-N 		Estrone glucuronide
Estrone 3-glucuronide
Estrone beta-D-glucuronide

SLM:000597774
slm:000597774
FJAZVHYPASAQKM-JBAURARKSA-M 		estrone 3-O-(beta-D-glucuronate)

CHEBI:28919
chebi:28919
FJAZVHYPASAQKM-JBAURARKSA-N 		estrone 3-O-(beta-D-glucuronide)
17-oxoestra-1,3,5(10)-trien-3-yl beta-D-glucopyranosiduronic acid
Estrone 3-glucuronide
Estrone beta-D-glucuronide
Estrone glucuronide
estrone 3-glucosiduronic acid

vmhM:estroneglc
vmhmetabolite:estroneglc
FJAZVHYPASAQKM-JBAURARKSA-N 		estrone 3-glucosiduronic acid
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{[(1S,10R,11S,15S)-15-methyl-14-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-2,4,6-trien-5-yl]oxy}oxane-2-carboxylic acid

hmdb:HMDB04483
chebi:23973
chebi:42342
chebi:4872
biggM:M_estroneglc
keggC:M_C11133
seedM:M_cpd08015
vmhM:M_estroneglc 		secondary/obsolete/fantasy identifier