Search MNXref
 Feedback

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

MNXM4258 is deprecated and here replaced by MNXM735925
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM735925 Image of MNXM735925
referencechebi:57529
formulaC24H31O8
global charge-1
mol weight447.504
InChIKeyMUOHJTRCBBDUOW-FNUZHIFDSA-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 MNXM735925
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)4
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:57529
chebi:57529
MUOHJTRCBBDUOW-FNUZHIFDSA-M 		17alpha-estradiol 3-O-(beta-D-glucuronate)
17alpha-estradiol 3-glucosiduronate
17alpha-hydroxyestra-1,3,5(10)-trien-3-yl beta-D-glucopyranosiduronate

CHEBI:182617
chebi:182617
MUOHJTRCBBDUOW-IZYQOYKJSA-N 		(2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-[[(17R)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]oxane-2-carboxylic acid
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(17R)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]oxane-2-carboxylic acid

SLM:000597782
slm:000597782
MUOHJTRCBBDUOW-FNUZHIFDSA-M 		17alpha-estradiol 3-O-(beta-D-glucuronate)

CHEBI:15822
chebi:15822
MUOHJTRCBBDUOW-FNUZHIFDSA-N 		17alpha-estradiol 3-glucosiduronic acid
17alpha-estradiol 3-glucuronide
17alpha-hydroxyestra-1,3,5(10)-trien-3-yl beta-D-glucopyranosiduronic acid
Estradiol-17alpha 3-D-glucuronoside

lipidmaps:LMST05010026
lipidmapsM:LMST05010026
MUOHJTRCBBDUOW-FNUZHIFDSA-N 		17alpha-estradiol 3-glucosiduronic acid
17alpha-estradiol 3-glucuronide
17alpha-hydroxyestra-1,3,5(10)-trien-3-yl beta-D-glucopyranosiduronic acid
Estradiol-17alpha 3-D-glucuronoside
GlcA
O2
ST 18:3
estradiol-17alpha 3-D-glucuronoside

sabiork.compound:7218
sabiorkM:7218
kegg.compound:C04300
keggC:C04300
MUOHJTRCBBDUOW-FNUZHIFDSA-N
MUOHJTRCBBDUOW-IZYQOYKJSA-N 		Estradiol-17alpha 3-D-glucuronoside
hmdb:HMDB0010349
MUOHJTRCBBDUOW-FNUZHIFDSA-N 		Estradiol-17alpha 3-D-glucuronoside
(2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-[[(17R)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]tetrahydropyran-2-carboxylic acid
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{[(1S,10R,11S,14R,15S)-14-hydroxy-15-methyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-2(7),3,5-trien-5-yl]oxy}oxane-2-carboxylic acid
17a-Estradiol 3-glucosiduronate
17a-Estradiol 3-glucosiduronic acid
17a-Estradiol 3-glucuronide
17a-Hydroxyestra-1,3,5(10)-trien-3-yl b-D-glucopyranosiduronate
17a-Hydroxyestra-1,3,5(10)-trien-3-yl b-D-glucopyranosiduronic acid
17a-Hydroxyestra-1,3,5(10)-trien-3-yl b-delta-glucopyranosiduronate
17a-Hydroxyestra-1,3,5(10)-trien-3-yl b-delta-glucopyranosiduronic acid
17alpha-Estradiol 3-glucosiduronate
17alpha-Estradiol 3-glucosiduronic acid
17alpha-Estradiol 3-glucuronide
17alpha-Hydroxyestra-1,3,5(10)-trien-3-yl beta-D-glucopyranosiduronate
17alpha-Hydroxyestra-1,3,5(10)-trien-3-yl beta-D-glucopyranosiduronic acid
17alpha-Hydroxyestra-1,3,5(10)-trien-3-yl beta-delta-glucopyranosiduronate
17alpha-Hydroxyestra-1,3,5(10)-trien-3-yl beta-delta-glucopyranosiduronic acid
17alpha-estradiol 3-glucosiduronate
17alpha-estradiol 3-glucosiduronic acid
17alpha-estradiol 3-glucuronide
Estradiol-17a 3-D-glucuronoside
Estradiol-17a 3-delta-glucuronoside
Estradiol-17alpha 3-delta-glucuronoside

hmdb:HMDB10349
chebi:14218
chebi:23962
chebi:4863
keggC:M_C04300 		secondary/obsolete/fantasy identifier