GTR

beta-D-galactopyranuronic acid

Created:	2001-11-15
Last modified:	2020-07-17

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12 entries where GTR is found as a standalone ligand5 entries where GTR is covalently linked to polymer or other heterogen groups 10 entries where GTR is found in a branched oligosaccharide

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Chemical Details
Formal Charge	0
Atom Count	23
Chiral Atom Count	5
Bond Count	23
Aromatic Bond Count	0

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Chemical Component Summary
Name	beta-D-galactopyranuronic acid
Synonyms	beta-D-galacturonic acid; D-galacturonic acid; galacturonic acid
Systematic Name (OpenEye OEToolkits)	(2S,3R,4S,5R,6R)-3,4,5,6-tetrakis(oxidanyl)oxane-2-carboxylic acid
Formula	C₆ H₁₀ O₇
Molecular Weight	194.139
Type	D-SACCHARIDE, BETA LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C1(C(C(C(C(C(=O)O)O1)O)O)O)O
SMILES	CACTVS	3.385	O[CH]1O[CH]([CH](O)[CH](O)[CH]1O)C(O)=O
SMILES	OpenEye OEToolkits	1.7.6	C1(C(C(OC(C1O)O)C(=O)O)O)O
Canonical SMILES	CACTVS	3.385	O[C@@H]1O[C@@H]([C@H](O)[C@H](O)[C@H]1O)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.6	[C@@H]1([C@H]([C@H](O[C@H]([C@@H]1O)O)C(=O)O)O)O
InChI	InChI	1.03	InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2+,3+,4-,6+/m0/s1
InChIKey	InChI	1.03	AEMOLEFTQBMNLQ-DTEWXJGMSA-N

Drug Info: DrugBank

DrugBank ID	DB03652
Name	beta-D-Galactopyranuronic acid
Groups	experimental
Synonyms	β-D-Galactopyranuronic acid β-D-galacturonic acid beta-D-Galactopyranuronic acid
CAS number	18968-14-4

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
AlgQ1	MKKLVLAMAIGSSALMFAAPSVVAREATWVTEKPLTLKIHMHFRDKWVWD...	unknown
AlgQ2	MKKMMLSVAAVATLMAFAAPVATAKEATWVTDKPLTLKIHMHFRDKWVWD...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682