Chemical Components in the PDB

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G6Q : Summary

Code

G6Q

One-letter code

X

Molecule name

GLUCOSE-6-PHOSPHATE

Systematic names

ProgramVersionName
ACDLabs 10.04 6-O-phosphono-D-glucose
OpenEye OEToolkits 1.5.0 [(2R,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxo-hexyl] dihydrogen phosphate

Formula

C6 H13 O9 P

Formal charge

0

Molecular weight

260.136 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=P(O)(O)OCC(O)C(O)C(O)C(O)C=O
SMILES CACTVS 3.341 O[CH](CO[P](O)(O)=O)[CH](O)[CH](O)[CH](O)C=O
SMILES OpenEye OEToolkits 1.5.0 C(C(C(C(C(C=O)O)O)O)O)OP(=O)(O)O
Canonical SMILES CACTVS 3.341 O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H](O)[C@@H](O)C=O
Canonical SMILES OpenEye OEToolkits 1.5.0 C([C@H]([C@H]([C@@H]([C@H](C=O)O)O)O)O)OP(=O)(O)O

IUPAC InChI

InChI=1S/C6H13O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h1,3-6,8-11H,2H2,(H2,12,13,14)/t3-,4+,5+,6+/m0/s1

IUPAC InChI key

VFRROHXSMXFLSN-SLPGGIOYSA-N
G6Q

wwPDB Information

Atom count

29 (16 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

ATOMS

Is modified

No

Standard parent

Not Assigned

Defined at

2001-09-14

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned