Chemical Components in the PDB

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GTR : Summary

Code

GTR

One-letter code

X

Molecule name

beta-D-galactopyranuronic acid

Synonyms

beta-D-galacturonic acid
D-galacturonic acid
galacturonic acid

Systematic names

ProgramVersionName
ACDLabs 12.01 beta-D-galactopyranuronic acid
OpenEye OEToolkits 1.7.6 (2S,3R,4S,5R,6R)-3,4,5,6-tetrakis(oxidanyl)oxane-2-carboxylic acid

Formula

C6 H10 O7

Formal charge

0

Molecular weight

194.139 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 C1(C(C(C(C(C(=O)O)O1)O)O)O)O
SMILES CACTVS 3.385 O[CH]1O[CH]([CH](O)[CH](O)[CH]1O)C(O)=O
SMILES OpenEye OEToolkits 1.7.6 C1(C(C(OC(C1O)O)C(=O)O)O)O
Canonical SMILES CACTVS 3.385 O[C@@H]1O[C@@H]([C@H](O)[C@H](O)[C@H]1O)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.7.6 [C@@H]1([C@H]([C@H](O[C@H]([C@@H]1O)O)C(=O)O)O)O

IUPAC InChI

InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2+,3+,4-,6+/m0/s1

IUPAC InChI key

AEMOLEFTQBMNLQ-DTEWXJGMSA-N
GTR

wwPDB Information

Atom count

23 (13 without Hydrogen)

Polymer type

Saccharide

Type description

D-saccharide, beta linking

Type code

ATOMS

Is modified

No

Standard parent

Not Assigned

Defined at

2001-11-15

Last modified at

2020-07-17

Status

Released

Obsoleted

Not Assigned