Chemical Components in the PDB

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2Q2 : Summary

Code

2Q2

One-letter code

X

Molecule name

L-galactonic acid

Systematic names

ProgramVersionName
ACDLabs 12.01 L-galactonic acid
OpenEye OEToolkits 1.7.6 (2S,3R,4R,5S)-2,3,4,5,6-pentakis(oxidanyl)hexanoic acid

Formula

C6 H12 O7

Formal charge

0

Molecular weight

196.155 Da

SMILES

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

IUPAC InChI

InChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)/t2-,3+,4+,5-/m0/s1

IUPAC InChI key

RGHNJXZEOKUKBD-RSJOWCBRSA-N
2Q2

wwPDB Information

Atom count

25 (13 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

ATOMS

Is modified

No

Standard parent

Not Assigned

Defined at

2014-01-02

Last modified at

2014-01-17

Status

Released

Obsoleted

Not Assigned