Chemical Components in the PDB

pdbe.org/chem
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  • Z0F (Stereoisomer)
  • AFD (Stereoisomer)
  • Z8H (Stereoisomer)
  • GUP (Stereoisomer)
  • 3MK (Stereoisomer)
  • GXL (Stereoisomer)
  • Z6H (Stereoisomer)
  • GIV (Stereoisomer)
  • 4GL (Stereoisomer)
  • Z8T (Stereoisomer)
  • SHD (Stereoisomer)
  • SDY (Stereoisomer)
  • Z2D (Stereoisomer)
  • BMA (Stereoisomer)
  • MAN (Stereoisomer)
  • ZEE (Stereoisomer)
  • ALL (Stereoisomer)
  • GLC (Stereoisomer)
  • ZCD (Stereoisomer)
  • 4N2 (Stereoisomer)
  • GL0 (Stereoisomer)
  • GLA (Stereoisomer)
  • GAL (Stereoisomer)
  • WOO (Stereoisomer)

BGC : Summary

Code

BGC

One-letter code

X

Molecule name

beta-D-glucopyranose

Synonyms

beta-D-glucose
D-glucose
glucose

Systematic names

ProgramVersionName
ACDLabs 12.01 beta-D-glucopyranose
OpenEye OEToolkits 1.7.6 (2R,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol

Formula

C6 H12 O6

Formal charge

0

Molecular weight

180.156 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 OC1C(O)C(OC(O)C1O)CO
SMILES CACTVS 3.370 OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
SMILES OpenEye OEToolkits 1.7.6 C(C1C(C(C(C(O1)O)O)O)O)O
Canonical SMILES CACTVS 3.370 OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O
Canonical SMILES OpenEye OEToolkits 1.7.6 C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O

IUPAC InChI

InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1

IUPAC InChI key

WQZGKKKJIJFFOK-VFUOTHLCSA-N

Is part of

N9S , 2FL , LAT , 38J , CBK , LB2 , CE5 , CE6 , QPS , CBI , JRV , 6GB , ABD , 4U0 , FFC , 0TS , CTT , TCB , U63 , LAK , FCT , CE8
BGC

wwPDB Information

Atom count

24 (12 without Hydrogen)

Polymer type

Saccharide

Type description

D-saccharide, beta linking

Type code

ATOMS

Is modified

No

Standard parent

Not Assigned

Defined at

2002-01-22

Last modified at

2020-07-17

Status

Released

Obsoleted

Not Assigned