Chemical Components in the PDB

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AZC : Summary

Code

AZC

One-letter code

X

Molecule name

N-(acetylcarbamoyl)-beta-D-glucopyranosylamine

Systematic names

ProgramVersionName
ACDLabs 10.04 N-(acetylcarbamoyl)-beta-D-glucopyranosylamine
OpenEye OEToolkits 1.5.0 N-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamoyl]ethanamide

Formula

C9 H16 N2 O7

Formal charge

0

Molecular weight

264.233 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(NC1OC(C(O)C(O)C1O)CO)NC(=O)C
SMILES CACTVS 3.341 CC(=O)NC(=O)N[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O
SMILES OpenEye OEToolkits 1.5.0 CC(=O)NC(=O)NC1C(C(C(C(O1)CO)O)O)O
Canonical SMILES CACTVS 3.341 CC(=O)NC(=O)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Canonical SMILES OpenEye OEToolkits 1.5.0 CC(=O)NC(=O)N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O

IUPAC InChI

InChI=1S/C9H16N2O7/c1-3(13)10-9(17)11-8-7(16)6(15)5(14)4(2-12)18-8/h4-8,12,14-16H,2H2,1H3,(H2,10,11,13,17)/t4-,5-,6+,7-,8-/m1/s1

IUPAC InChI key

UQKBNLXZEGBQAF-JAJWTYFOSA-N
AZC

wwPDB Information

Atom count

34 (18 without Hydrogen)

Polymer type

Saccharide

Type description

D-saccharide

Type code

ATOMS

Is modified

No

Standard parent

Not Assigned

Defined at

2001-09-21

Last modified at

2020-07-17

Status

Released

Obsoleted

Not Assigned