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2-(beta-D-glucuronosyl)-D-glucuronate

MNXM4274 is deprecated and here replaced by MNXM730912
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM730912 Image of MNXM730912
referencechebi:58230
formulaC12H16O13
global charge-2
mol weight368.247
InChIKeyIMNADAQGVSDVMI-CCLDAEICSA-L
InChIInChI=1S/C12H18O13/c13-1-2(14)7(10(20)21)24-12(5(1)17)25-8-4(16)3(15)6(9(18)19)23-11(8)22/h1-8,11-17,22H,(H,18,19)(H,20,21)/p-2/t1-,2-,3-,4-,5+,6-,7-,8+,11+,12-/m0/s1
SMILESO=C([O-])[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](C(=O)[O-])O[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C12H18O13/c13-1-2(14)7(10(20)21)24-12(5(1)17)25-8-4(16)3(15)6(9(18)19)23-11(8)22/h1-8,11-17,22H,(H,18,19)(H,20,21)/t1-,2-,3-,4-,5+,6-,7-,8+,11+,12-/m0/s1 Image of MNXM730912
SMILES (mnx)[C@H:1]1([OH:13])[C@H:2]([OH:14])[C@@H:7]([C:10](=[O:20])[OH:21])[O:24][C@@H:12]([O:25][C@@H:8]2[C@@H:4]([OH:16])[C@H:3]([OH:15])[C@@H:6]([C:9](=[O:18])[OH:19])[O:23][C@H:11]2[OH:22])[C@@H:5]1[OH:17]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:58230
chebi:58230
IMNADAQGVSDVMI-CCLDAEICSA-L 		2-(beta-D-glucuronosyl)-D-glucuronate
2-(beta-D-glucopyranosyluronate)-D-glucuronate
2-(beta-D-glucopyranosyluronate)-D-glucuronate dianion
2-(beta-D-glucopyranosyluronate)-D-glucuronate(2-)
2-O-beta-D-glucopyranuronosyl-beta-D-glucopyranuronate
beta-D-glucopyranuronosyl-(1->2)-beta-D-glucopyranuronate

vmhM:12glcglcur
vmhmetabolite:12glcglcur
IMNADAQGVSDVMI-CCLDAEICSA-N 		1,2-beta-D-Glucuronosyl-D-glucuronate

kegg.compound:C04354
keggC:C04354
IMNADAQGVSDVMI-MUAZRATOSA-N 		1,2-beta-D-Glucuronosyl-D-glucuronate
(1->2)-beta-D-Glucuronosyl-D-glucuronate

seed.compound:cpd02668
seedM:cpd02668
IMNADAQGVSDVMI-CCLDAEICSA-L 		1,2-beta-D-Glucuronosyl-D-glucuronate
(1->2)-beta-D-Glucuronosyl-D-glucuronate
1,2-beta-D-glucosyluronate-D-glucuronate
1,2-beta-D-glucuronosyl-D-glucuronate

metacyc.compound:12-BETA-D-GLUCURONOSYL-D-GLUCURONATE
metacycM:12-BETA-D-GLUCURONOSYL-D-GLUCURONATE
IMNADAQGVSDVMI-CCLDAEICSA-L 		1,2-beta-D-glucosyluronate-D-glucuronate

CHEBI:17676
chebi:17676
IMNADAQGVSDVMI-CCLDAEICSA-N 		2-(beta-D-glucopyranosyluronic acid)-D-glucuronic acid
(1->2)-beta-D-Glucuronosyl-D-glucuronate
(beta-D-glucopyranosyloxyuronic acid)-(1->2)-beta-D-glucopyranuronic acid
1,2-beta-D-Glucuronosyl-D-glucuronate
1,2-beta-D-glucuronosyl-D-glucuronate
2-O-beta-D-glucopyranuronosyl-beta-D-glucopyranuronic acid

chebi:11137
chebi:18866
chebi:511
keggC:M_C04354
seedM:M_cpd02668
vmhM:M_12glcglcur 		secondary/obsolete/fantasy identifier