Chemical Components in the PDB

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T6T : Summary

Code

T6T

One-letter code

X

Molecule name

alpha-D-tagatopyranose

Synonyms

alpha-D-tagatose
D-tagatose
tagatose

Systematic names

ProgramVersionName
ACDLabs 12.01 alpha-D-tagatopyranose
OpenEye OEToolkits 2.0.6 (2~{S},3~{S},4~{S},5~{R})-2-(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(OCC(C1O)O)(CO)O
SMILES CACTVS 3.385 OC[C]1(O)OC[CH](O)[CH](O)[CH]1O
SMILES OpenEye OEToolkits 2.0.6 C1C(C(C(C(O1)(CO)O)O)O)O
Canonical SMILES CACTVS 3.385 OC[C@]1(O)OC[C@@H](O)[C@H](O)[C@@H]1O
Canonical SMILES OpenEye OEToolkits 2.0.6 C1[C@H]([C@@H]([C@@H]([C@@](O1)(CO)O)O)O)O

IUPAC InChI

InChI=1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2/t3-,4+,5+,6+/m1/s1

IUPAC InChI key

LKDRXBCSQODPBY-VANKVMQKSA-N
T6T

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

2015-07-13

Last modified at

2020-07-17

Status

Released

Obsoleted

Not Assigned