GCU

alpha-D-glucopyranuronic acid

Created:	1999-07-08
Last modified:	2020-07-17

Find Related PDB Entry
12 entries where GCU is found as a standalone ligand2 entries where GCU is covalently linked to polymer or other heterogen groups 24 entries where GCU is found in a branched oligosaccharide

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

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

2D diagram of GCU

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	alpha-D-glucopyranuronic acid
Synonyms	alpha-D-glucuronic acid; D-glucuronic acid; glucuronic acid
Systematic Name (OpenEye OEToolkits)	(2S,3S,4S,5R,6S)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid
Formula	C₆ H₁₀ O₇
Molecular Weight	194.139
Type	D-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-WAXACMCWSA-N

Related Resource References

Resource Name	Reference
PubChem	444791
ChEBI	CHEBI:42717

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.