Chemical Components in the PDB

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DGU : Summary

Code

DGU

One-letter code

X

Molecule name

D-galacturonic acid

Synonyms

D-Galacturonate

Systematic names

ProgramVersionName
ACDLabs 12.01 D-galacturonic acid
OpenEye OEToolkits 1.7.0 (2S,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxo-hexanoic acid

Formula

C6 H10 O7

Formal charge

0

Molecular weight

194.139 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(O)C(O)C(O)C(O)C(O)C=O
SMILES CACTVS 3.370 O[CH](C=O)[CH](O)[CH](O)[CH](O)C(O)=O
SMILES OpenEye OEToolkits 1.7.0 C(=O)C(C(C(C(C(=O)O)O)O)O)O
Canonical SMILES CACTVS 3.370 O[C@@H](C=O)[C@@H](O)[C@@H](O)[C@H](O)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.7.0 C(=O)[C@@H]([C@H]([C@H]([C@@H](C(=O)O)O)O)O)O

IUPAC InChI

InChI=1S/C6H10O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h1-5,8-11H,(H,12,13)/t2-,3+,4+,5-/m0/s1

IUPAC InChI key

IAJILQKETJEXLJ-RSJOWCBRSA-N
DGU

wwPDB Information

Atom count

23 (13 without Hydrogen)

Polymer type

Saccharide

Type description

D-saccharide

Type code

ATOMS

Is modified

No

Standard parent

Not Assigned

Defined at

2011-03-23

Last modified at

2020-07-17

Status

Released

Obsoleted

Not Assigned