Chemical Components in the PDB

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GOS : Summary

Code

GOS

One-letter code

X

Molecule name

D-Glucitol-1,6-bisphosphate

Systematic names

ProgramVersionName
ACDLabs 12.01 1,6-di-O-phosphono-D-glucitol
OpenEye OEToolkits 2.0.6 [(2~{S},3~{R},4~{R},5~{R})-2,3,4,5-tetrakis(oxidanyl)-6-phosphonooxy-hexyl] dihydrogen phosphate

Formula

C6 H16 O12 P2

Formal charge

0

Molecular weight

342.132 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 C(C(O)C(O)C(C(COP(=O)(O)O)O)O)OP(O)(=O)O
SMILES CACTVS 3.385 O[CH](CO[P](O)(O)=O)[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O
SMILES OpenEye OEToolkits 2.0.6 C(C(C(C(C(COP(=O)(O)O)O)O)O)O)OP(=O)(O)O
Canonical SMILES CACTVS 3.385 O[C@@H](CO[P](O)(O)=O)[C@@H](O)[C@H](O)[C@H](O)CO[P](O)(O)=O
Canonical SMILES OpenEye OEToolkits 2.0.6 C([C@H]([C@H]([C@@H]([C@H](COP(=O)(O)O)O)O)O)O)OP(=O)(O)O

IUPAC InChI

InChI=1S/C6H16O12P2/c7-3(1-17-19(11,12)13)5(9)6(10)4(8)2-18-20(14,15)16/h3-10H,1-2H2,(H2,11,12,13)(H2,14,15,16)/t3-,4+,5-,6-/m1/s1

IUPAC InChI key

WOYYTQHMNDWRCW-JGWLITMVSA-N
GOS

wwPDB Information

Atom count

36 (20 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2017-04-20

Last modified at

2021-03-13

Status

Released

Obsoleted

Not Assigned