CEZ

4-O-beta-D-glucopyranosyl-D-gluconic acid

Created:	2015-05-12
Last modified:	2020-07-17

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1 entries where CEZ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	46
Chiral Atom Count	9
Bond Count	46
Aromatic Bond Count	0

2D diagram of CEZ

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Chemical Component Summary
Name	4-O-beta-D-glucopyranosyl-D-gluconic acid
Synonyms	cellobionic acid; 4-O-beta-D-glucosyl-D-gluconic acid; 4-O-D-glucosyl-D-gluconic acid; 4-O-glucosyl-D-gluconic acid
Systematic Name (OpenEye OEToolkits)	(2R,3R,4R,5R)-4-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2,3,5,6-tetrakis(oxidanyl)hexanoi c acid
Formula	C₁₂ H₂₂ O₁₂
Molecular Weight	358.296
Type	D-SACCHARIDE

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O(C(C(C(C(O)=O)O)O)C(O)CO)C1OC(CO)C(O)C(C1O)O
SMILES	CACTVS	3.385	OC[CH](O)[CH](O[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O)[CH](O)[CH](O)C(O)=O
SMILES	OpenEye OEToolkits	1.9.2	C(C1C(C(C(C(O1)OC(C(CO)O)C(C(C(=O)O)O)O)O)O)O)O
Canonical SMILES	CACTVS	3.385	OC[C@@H](O)[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@@H](O)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.9.2	C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C(=O)O)O)O)O)O)O)O
InChI	InChI	1.03	InChI=1S/C12H22O12/c13-1-3(15)10(7(18)8(19)11(21)22)24-12-9(20)6(17)5(16)4(2-14)23-12/h3-10,12-20H,1-2H2,(H,21,22)/t3-,4-,5-,6+,7-,8-,9-,10-,12+/m1/s1
InChIKey	InChI	1.03	JYTUSYBCFIZPBE-ZNLUKOTNSA-N

Related Resource References

Resource Name	Reference
PubChem	6452827
ChEBI	CHEBI:77021

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