Chemical Components in the PDB

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CBF : Summary

Code

CBF

One-letter code

X

Molecule name

(2R,3R,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxane-2-carboxamide

Synonyms

C-(1-HYDROGYL-BETA-D-GLUCOPYRANOSYL) FORMAMIDE

Systematic names

ProgramVersionName
ACDLabs 11.02 (2R,3R,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-carboxamide (non-preferred name)
OpenEye OEToolkits 1.6.1 (2R,3R,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxane-2-carboxamide

Formula

C7 H13 N O7

Formal charge

0

Molecular weight

223.181 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 11.02 O=C(N)C1(O)OC(C(O)C(O)C1O)CO
SMILES CACTVS 3.352 NC(=O)[C]1(O)O[CH](CO)[CH](O)[CH](O)[CH]1O
SMILES OpenEye OEToolkits 1.7.0 C(C1C(C(C(C(O1)(C(=O)N)O)O)O)O)O
Canonical SMILES CACTVS 3.352 NC(=O)[C@]1(O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Canonical SMILES OpenEye OEToolkits 1.7.0 C([C@@H]1[C@H]([C@@H]([C@H]([C@@](O1)(C(=O)N)O)O)O)O)O

IUPAC InChI

InChI=1S/C7H13NO7/c8-6(13)7(14)5(12)4(11)3(10)2(1-9)15-7/h2-5,9-12,14H,1H2,(H2,8,13)/t2-,3-,4+,5-,7-/m1/s1

IUPAC InChI key

DTZYCNDAJQDPQC-UHKLXPPTSA-N
CBF

wwPDB Information

Atom count

28 (15 without Hydrogen)

Polymer type

Saccharide

Type description

D-saccharide, alpha linking

Type code

ATOMS

Is modified

No

Standard parent

Not Assigned

Defined at

2003-05-01

Last modified at

2020-07-17

Status

Released

Obsoleted

Not Assigned