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

MNXM6264 is deprecated and here replaced by MNXM1104134
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM1104134

	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	5

formula

C₂₄H₂₉O₈

charge

-1

mass

445.18679

reference

chebi:136634

InChIKey

FJAZVHYPASAQKM-JBAURARKSA-M

InChI

InChI=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

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]1CCC2=O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:136634 chebi:136634	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	Estrone 3-glucosiduronic acid
lipidmaps:LMST05010011 lipidmapsM:LMST05010011	Estrone 3-glucuronide 3-hydroxy-estra-1,3,5(10)-trien-17-one 3-D-glucuronide GlcA O2 ST 18:4
hmdb:HMDB0004483	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	Estrone glucuronide Estrone 3-glucuronide Estrone beta-D-glucuronide
CHEBI:28919 chebi:28919	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
hmdb:HMDB04483 chebi:23973 chebi:42342 chebi:4872 biggM:M_estroneglc keggC:M_C11133 seedM:M_cpd08015	secondary/obsolete/fantasy identifier