Chemical Components in the PDB

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TGY : Summary

Code

TGY

One-letter code

X

Molecule name

1-deoxy-alpha-D-tagatopyranose

Systematic names

ProgramVersionName
ACDLabs 12.01 1-deoxy-alpha-D-tagatopyranose
OpenEye OEToolkits 1.9.2 (2S,3S,4S,5R)-2-methyloxane-2,3,4,5-tetrol

Formula

C6 H12 O5

Formal charge

0

Molecular weight

164.156 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 C1(O)C(O)C(C(O)(C)OC1)O
SMILES CACTVS 3.385 C[C]1(O)OC[CH](O)[CH](O)[CH]1O
SMILES OpenEye OEToolkits 1.9.2 CC1(C(C(C(CO1)O)O)O)O
Canonical SMILES CACTVS 3.385 C[C@]1(O)OC[C@@H](O)[C@H](O)[C@@H]1O
Canonical SMILES OpenEye OEToolkits 1.9.2 C[C@]1([C@H]([C@H]([C@@H](CO1)O)O)O)O

IUPAC InChI

InChI=1S/C6H12O5/c1-6(10)5(9)4(8)3(7)2-11-6/h3-5,7-10H,2H2,1H3/t3-,4+,5+,6+/m1/s1

IUPAC InChI key

YLWWLYACYNLGLT-VANKVMQKSA-N
TGY

wwPDB Information

Atom count

23 (11 without Hydrogen)

Polymer type

Saccharide

Type description

D-saccharide, alpha linking

Type code

ATOMS

Is modified

No

Standard parent

Not Assigned

Defined at

2015-03-26

Last modified at

2020-07-17

Status

Released

Obsoleted

Not Assigned