ZGE

5-acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-3-fluoro-D-glycero-D-galacto-non-2-enonic acid

Created:	2012-10-31
Last modified:	2024-09-27

Find Related PDB Entry
1 entries where ZGE is covalently linked to polymer or other heterogen groups

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	43
Chiral Atom Count	5
Bond Count	43
Aromatic Bond Count	0

2D diagram of ZGE

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	5-acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-3-fluoro-D-glycero-D-galacto-non-2-enonic acid
Synonyms	(2R,3R,4R)-3-acetamido-4-carbamimidamido-5-fluoranyl-2-[(1R,2R)-1,2,3-tris(oxidanyl)propyl]-3,4-dihydro-2H-pyran-6-carb oxylic acid
Systematic Name (OpenEye OEToolkits)	(2~{R},3~{R},4~{R})-3-acetamido-4-carbamimidamido-5-fluoranyl-2-[(1~{R},2~{R})-1,2,3-tris(oxidanyl)propyl]-3,4-dihydro- 2~{H}-pyran-6-carboxylic acid
Formula	C₁₂ H₁₉ F N₄ O₇
Molecular Weight	350.3
Type	D-SACCHARIDE

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(C)NC1C(N/C(N)=N)C(F)=C(OC1C(O)C(CO)O)C(O)=O
SMILES	CACTVS	3.385	CC(=O)N[CH]1[CH](NC(N)=N)C(=C(O[CH]1[CH](O)[CH](O)CO)C(O)=O)F
SMILES	OpenEye OEToolkits	2.0.7	CC(=O)NC1C(C(=C(OC1C(C(CO)O)O)C(=O)O)F)NC(=N)N
Canonical SMILES	CACTVS	3.385	CC(=O)N[C@@H]1[C@@H](NC(N)=N)C(=C(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O)F
Canonical SMILES	OpenEye OEToolkits	2.0.7	[H]/N=C(/N)\N[C@@H]1[C@H]([C@@H](OC(=C1F)C(=O)O)[C@@H]([C@@H](CO)O)O)NC(=O)C
InChI	InChI	1.03	InChI=1S/C12H19FN4O7/c1-3(19)16-7-6(17-12(14)15)5(13)9(11(22)23)24-10(7)8(21)4(20)2-18/h4,6-8,10,18,20-21H,2H2,1H3,(H,16,19)(H,22,23)(H4,14,15,17)/t4-,6+,7-,8-,10-/m1/s1
InChIKey	InChI	1.03	UCGICVWHWQNCDB-NSNFAWTCSA-N

Related Resource References

Resource Name	Reference
PubChem	71305033

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.