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17beta-estradiol 3-O-(beta-D-glucuronate)

MNXM737985 is deprecated and here replaced by MNXM1363992
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1363992 Image of MNXM1363992
referencechebi:136641
formulaC24H31O8
global charge-1
mol weight447.504
InChIKeyMUOHJTRCBBDUOW-QXYWQCSFSA-M
InChIInChI=1S/C24H32O8/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/h3,5,10,14-21,23,25-28H,2,4,6-9H2,1H3,(H,29,30)/p-1/t14-,15-,16+,17+,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]1CC[C@@H]2O
MNX internals
InChI (mnx)InChI=1/C24H32O8/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/h3,5,10,14-21,23,25-28H,2,4,6-9H2,1H3,(H,29,30)/t14-,15-,16+,17+,18+,19+,20-,21+,23-,24+/m1/s1 Image of MNXM1363992
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@@H:17]2[OH:25]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)8
in models (compartimentalized) 8
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:136641
chebi:136641
MUOHJTRCBBDUOW-QXYWQCSFSA-M 		17beta-estradiol 3-O-(beta-D-glucuronate)
17beta-estradiol 3-O-(beta-D-glucuronide)(1-)
17beta-hydroxyestra-1,3,5(10)-trien-3-yl beta-D-glucopyranosiduronate
hmdb:HMDB0006224
MUOHJTRCBBDUOW-QXYWQCSFSA-N 		17-beta-Estradiol-3-glucuronide
(17beta)-17-Hydroxyestra-1,3,5(10)-trien-3-yl beta-D-glucopyranosiduronic acid
(17beta)-17-hydroxyestra-1,3,5(10)-trien-3-yl beta-D-glucopyranosiduronic acid
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{[(1S,10R,11S,14S,15S)-14-hydroxy-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2(7),3,5-trien-5-yl]oxy}oxane-2-carboxylic acid
17-b-Estradiol-3-glucuronide
17-beta-estradiol-3-glucuronide
17b-Estradiol 3-(b-D-glucuronide)
17b-Estradiol 3-glucuronide
17beta-Estradiol 3-(beta-D-glucuronide)
17beta-Estradiol 3-glucosiduronate
17beta-Estradiol 3-glucuronide
17beta-estradiol 3-(beta-D-glucuronide)
17beta-estradiol 3-glucosiduronate
17beta-estradiol 3-glucuronide
Estradiol 3-glucosiduronate
Estradiol 3-glucuronide
Estradiol-17b 3-glucuronide
Estradiol-17beta 3-glucuronide
Estradiol-17beta-3-(beta-D-glucuronide)
Estradiol-3-glucuronide

lipidmaps:LMST05010007
lipidmapsM:LMST05010007
MUOHJTRCBBDUOW-QXYWQCSFSA-N 		17beta-Estradiol 3-(beta-D-glucuronide)
GlcA
O2
ST 18:3
estra-1,3,5(10)-triene-3,17beta-diol 3-D-glucuronide

SLM:000597770
slm:000597770
MUOHJTRCBBDUOW-QXYWQCSFSA-M 		17beta-estradiol 3-O-(beta-D-glucuronate)

bigg.metabolite:estradiolglc
biggM:estradiolglc
MUOHJTRCBBDUOW-QXYWQCSFSA-N 		17beta-estradiol 3-glucosiduronic acid

vmhM:estradiolglc
vmhmetabolite:estradiolglc
MUOHJTRCBBDUOW-QXYWQCSFSA-N 		17beta-estradiol 3-glucosiduronic acid
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{[(1S,10R,11S,14S,15S)-14-hydroxy-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2(7),3,5-trien-5-yl]oxy}oxane-2-carboxylic acid

CHEBI:36489
chebi:36489
MUOHJTRCBBDUOW-QXYWQCSFSA-N 		17beta-estradiol 3-glucosiduronic acid
17beta-Estradiol 3-(beta-D-glucuronide)
17beta-estradiol 3-glucuronide
17beta-hydroxyestra-1,3,5(10)-trien-3-yl beta-D-glucopyranosiduronic acid
Estradiol-17beta 3-glucuronide
Estradiol-3-glucuronide

seed.compound:cpd03277
seedM:cpd03277
sabiork.compound:7966
sabiorkM:7966
kegg.compound:C05503
keggC:C05503
MUOHJTRCBBDUOW-QXYWQCSFSA-M
MUOHJTRCBBDUOW-QXYWQCSFSA-N 		Estradiol-17beta 3-glucuronide
17beta-Estradiol 3-(beta-D-glucuronide)

hmdb:HMDB0006767
hmdb:HMDB06224
hmdb:HMDB06767
chebi:23964
chebi:4865
biggM:M_estradiolglc
keggC:M_C05503
seedM:M_cpd03277
vmhM:M_estradiolglc 		secondary/obsolete/fantasy identifier