IDR

alpha-L-idopyranuronic acid

Created:	2000-12-12
Last modified:	2020-07-17

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2 entries where IDR is found as a standalone ligand1 entries where IDR is covalently linked to polymer or other heterogen groups 6 entries where IDR 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	alpha-L-idopyranuronic acid
Synonyms	alpha-L-iduronic acid; L-iduronic acid; iduronic acid
Systematic Name (OpenEye OEToolkits)	(2R,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid
Formula	C₆ H₁₀ O₇
Molecular Weight	194.139
Type	L-SACCHARIDE, ALPHA LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)C1OC(O)C(O)C(O)C1O
SMILES	CACTVS	3.341	O[CH]1O[CH]([CH](O)[CH](O)[CH]1O)C(O)=O
SMILES	OpenEye OEToolkits	1.5.0	C1(C(C(OC(C1O)O)C(=O)O)O)O
Canonical SMILES	CACTVS	3.341	O[C@@H]1O[C@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	[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-VCSGLWQLSA-N

Drug Info: DrugBank

DrugBank ID	DB02945
Name	alpha-L-iduronic acid
Groups	experimental
Synonyms	L-iduronic acid alpha-L-iduronic acid α-L-iduronic acid
CAS number	71031-08-8

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Chondroitinase-AC	MKKLFVTCIVFFSILSPALLIAQQTGTAELIMKRVMLDLKKPLRNMDKVA...	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