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4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid

PropertiesImage
MNX_IDMNXM5045 Image of MNXM5045
referencechebi:177248
formulaC12H18O13
global charge0
mol weight370.263
InChIKeyIGSYEZFZPOZFNC-UHFFFAOYSA-N
InChIInChI=1S/C12H18O13/c13-1-2(14)7(9(18)19)25-12(5(1)17)24-6-3(15)4(16)11(22)23-8(6)10(20)21/h1-8,11-17,22H,(H,18,19)(H,20,21)
SMILESO=C(O)C1OC(OC2C(C(=O)O)OC(O)C(O)C2O)C(O)C(O)C1O
MNX internals
InChI (mnx)InChI=1/C12H18O13/c13-1-2(14)7(9(18)19)25-12(5(1)17)24-6-3(15)4(16)11(22)23-8(6)10(20)21/h1-8,11-17,22H,(H,18,19)(H,20,21)/t1?,2?,3?,4?,5?,6?,7?,8?,11?,12? Image of MNXM5045
SMILES (mnx)[CH:1]1([OH:13])[CH:2]([OH:14])[CH:7]([C:9](=[O:18])[OH:19])[O:25][CH:12]([O:24][CH:6]2[CH:3]([OH:15])[CH:4]([OH:16])[CH:11]([OH:22])[O:23][CH:8]2[C:10](=[O:20])[OH:21])[CH:5]1[OH:17]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:177248
chebi:177248
IGSYEZFZPOZFNC-UHFFFAOYSA-N 		4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid
6-(2-carboxy-4,5,6-trihydroxyoxan-3-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
hmdb:HMDB0039721
IGSYEZFZPOZFNC-UHFFFAOYSA-N 		4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid
4-O-a-D-Galactopyranuronosyl-D-galacturonate
4-O-a-D-Galactopyranuronosyl-D-galacturonic acid
4-O-alpha-D-Galactopyranuronosyl-D-galacturonate
4-O-alpha-D-galactopyranuronosyl-D-galacturonate
4-O-alpha-D-galactopyranuronosyl-D-galacturonic acid
6-[(2-Carboxy-4,5,6-trihydroxyoxan-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylate
6-[(2-carboxy-4,5,6-trihydroxyoxan-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Digalacturonate
Digalacturonic acid
Digalacturonic acid, (D,alpha-D)-isomer
O-(alpha-D-Galactopyranosyluronic acid)-(1-4)-alpha-D-galactopyranuronic acid
Sodium digalacturonate

hmdb:HMDB39721 		secondary/obsolete/fantasy identifier