Chemical Components in the PDB

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CGF : Summary

Code

CGF

One-letter code

X

Molecule name

C-(1-AZIDO-ALPHA-D-GLUCOPYRANOSYL) FORMAMIDE

Systematic names

ProgramVersionName
ACDLabs 10.04 (2S,3R,4S,5S,6R)-2-[(R)-amino(hydroxy)methyl]-2-azido-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol (non-preferred name)
OpenEye OEToolkits 1.5.0 (2S,3R,4S,5S,6R)-2-(amino-hydroxy-methyl)-2-azido-6-(hydroxymethyl)oxane-3,4,5-triol

Formula

C7 H14 N4 O6

Formal charge

0

Molecular weight

250.209 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 [N-]=[N+]=N/C1(OC(C(O)C(O)C1O)CO)C(O)N
SMILES CACTVS 3.341 N[CH](O)[C]1(O[CH](CO)[CH](O)[CH](O)[CH]1O)N=[N+]=[N-]
SMILES OpenEye OEToolkits 1.5.0 C(C1C(C(C(C(O1)(C(N)O)N=[N+]=[N-])O)O)O)O
Canonical SMILES CACTVS 3.341 N[C@H](O)[C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)N=[N+]=[N-]
Canonical SMILES OpenEye OEToolkits 1.5.0 C([C@@H]1[C@H]([C@@H]([C@H]([C@](O1)(C(N)O)N=[N+]=[N-])O)O)O)O

IUPAC InChI

InChI=1S/C7H14N4O6/c8-6(16)7(10-11-9)5(15)4(14)3(13)2(1-12)17-7/h2-6,12-16H,1,8H2/t2-,3-,4+,5-,6?,7+/m1/s1

IUPAC InChI key

LAKOUYZWWLMCSL-JBFGQTLDSA-N
CGF

wwPDB Information

Atom count

31 (17 without Hydrogen)

Polymer type

Saccharide

Type description

D-saccharide

Type code

ATOMS

Is modified

No

Standard parent

Not Assigned

Defined at

2003-04-25

Last modified at

2020-07-17

Status

Released

Obsoleted

Not Assigned