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

MNXM737985 is deprecated and replaced by MNXM1104601

Properties

Image

Occurences in reactions

MNX_ID

MNXM1104601

	#reac
in my sandbox	0
in MNXref (generic)	5
in models (compartimentalized)	7

formula

C₂₄H₃₁O₈

charge

-1

mass

447.20244

reference

chebi:136641

InChIKey

MUOHJTRCBBDUOW-QXYWQCSFSA-M

InChI

InChI=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

SMILES

C[C@]12CC[C@@H]3c4ccc(O[C@@H]5O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]5O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:136641 chebi:136641	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
lipidmaps:LMST05010007 lipidmapsM:LMST05010007	17beta-Estradiol 3-(beta-D-glucuronide) GlcA O2 ST 18:3 estra-1,3,5(10)-triene-3,17beta-diol 3-D-glucuronide
bigg.metabolite:estradiolglc biggM:estradiolglc	17beta-estradiol 3-glucosiduronic acid
CHEBI:36489 chebi:36489	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
sabiork.compound:7966 sabiorkM:7966 seed.compound:cpd03277 seedM:cpd03277 kegg.compound:C05503 keggC:C05503	Estradiol-17beta 3-glucuronide 17beta-Estradiol 3-(beta-D-glucuronide)
chebi:23964 chebi:4865 biggM:M_estradiolglc keggC:M_C05503 seedM:M_cpd03277	secondary/obsolete/fantasy identifier