Feedback

E3040 glucuronide

Properties

Image

Occurences in reactions

MNX_ID

MNXM51761

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

formula

C₂₂H₂₅N₃O₇S

charge

mass

475.14132

reference

chebi:4733

InChIKey

RJBKVKVYNJTHJS-DQSYDGHTSA-N

InChI

InChI=1S/C22H25N3O7S/c1-9-12(7-11-5-4-6-24-8-11)13-19(33-22(23-3)25-13)10(2)17(9)31-21-16(28)14(26)15(27)18(32-21)20(29)30/h4-6,8,14-16,18,21,26-28H,7H2,1-3H3,(H,23,25)(H,29,30)/t14-,15-,16+,18-,21+/m0/s1

SMILES

CNc1nc2c(Cc3cccnc3)c(C)c(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)c(C)c2s1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:4733 chebi:4733	E3040 glucuronide 2-(methylamino)-5,7-dimethyl-4-(3-pyridinylmethyl)benzothiazole-6-yl beta-D-glucopyranosiduronic acid 5,7-dimethyl-2-(methylamino)-4-(pyridin-3-ylmethyl)-1,3-benzothiazol-6-yl beta-D-glucopyranosiduronic acid E-3040 glucuronide
CHEBI:144584 chebi:144584	5,7-dimethyl-2-methylamino-4-(3-pyridylmethyl)-1,3-benzothiazol-6-yl beta-D-glucuronate 5,7-dimethyl-2-(methylamino)-4-(pyridin-3-ylmethyl)-1,3-benzothiazol-6-yl beta-D-glucopyranosiduronate 5,7-dimethyl-2-methylamino-4-(3-pyridylmethyl)-1,3-benzothiazol-6-yl beta-D-glucuronide(1-) E3040 glucuronate
seed.compound:cpd08412 seedM:cpd08412 kegg.compound:C11595 keggC:C11595	E3040 glucuronide
keggC:M_C11595 seedM:M_cpd08412	secondary/obsolete/fantasy identifier