GCW

4-O-methyl-beta-D-glucopyranuronic acid

Created:	2002-03-22
Last modified:	2020-07-17

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1 entries where GCW is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	26
Chiral Atom Count	5
Bond Count	26
Aromatic Bond Count	0

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Chemical Component Summary
Name	4-O-methyl-beta-D-glucopyranuronic acid
Synonyms	4-O-METHYL-BETA-D-GLUCURONIC ACID; 4-O-methyl-D-glucuronic acid; 4-O-methyl-glucuronic acid
Systematic Name (OpenEye OEToolkits)	(2S,3S,4R,5R,6R)-4,5,6-trihydroxy-3-methoxy-oxane-2-carboxylic acid
Formula	C₇ H₁₂ O₇
Molecular Weight	208.166
Type	D-SACCHARIDE, BETA LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)C1OC(O)C(O)C(O)C1OC
SMILES	CACTVS	3.341	CO[CH]1[CH](O)[CH](O)[CH](O)O[CH]1C(O)=O
SMILES	OpenEye OEToolkits	1.5.0	COC1C(C(C(OC1C(=O)O)O)O)O
Canonical SMILES	CACTVS	3.341	CO[C@H]1[C@H](O)[C@@H](O)[C@H](O)O[C@@H]1C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	CO[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1C(=O)O)O)O)O
InChI	InChI	1.03	InChI=1S/C7H12O7/c1-13-4-2(8)3(9)7(12)14-5(4)6(10)11/h2-5,7-9,12H,1H3,(H,10,11)/t2-,3-,4+,5+,7-/m1/s1
InChIKey	InChI	1.03	WGLLPAPKWFDHHV-RLZVPWTLSA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License

DrugBank ID	DB02722
Name	4-O-methyl-beta-D-glucuronic acid
Groups	experimental
Synonyms	4-O-methyl-beta-D-glucuronic acid

Drug Targets

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License

Name	Target Sequence	Pharmacological Action	Actions
Xylan alpha-1,2-glucuronidase	MTAGYEPCWLRYERKDQYSRLRFEEIVAKRTSPIFQAAVEELQKGLRSMM...	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