Chemical Components in the PDB

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

GLC : Summary

Code

GLC

One-letter code

X

Molecule name

alpha-D-glucopyranose

Synonyms

alpha-D-glucose
D-glucose
glucose

Systematic names

ProgramVersionName
ACDLabs 10.04 alpha-D-glucopyranose
OpenEye OEToolkits 1.5.0 (2S,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 10.04 OC1C(O)C(OC(O)C1O)CO
SMILES CACTVS 3.341 OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
SMILES OpenEye OEToolkits 1.5.0 C(C1C(C(C(C(O1)O)O)O)O)O
Canonical SMILES CACTVS 3.341 OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O
Canonical SMILES OpenEye OEToolkits 1.5.0 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-DVKNGEFBSA-N

Is part of

MLR , TM6 , CTR , TUR , SLT , CEY , SUP , 38J , TRE , CBK , QKH , ABD , CEX , LBT , D0N , STW , DQR , 3SA , T6P , M1F , TM5 , MTT , MAL , OSU
GLC

wwPDB Information

Atom count

24 (12 without Hydrogen)

Polymer type

Saccharide

Type description

D-saccharide, alpha linking

Type code

ATOMS

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2020-07-17

Status

Released

Obsoleted

Not Assigned