Chemical Components in the PDB

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GCO : Summary

Code

GCO

One-letter code

X

Molecule name

D-gluconic acid

Synonyms

GLUCONIC ACID

Systematic names

ProgramVersionName
ACDLabs 10.04 D-gluconic acid
OpenEye OEToolkits 1.5.0 (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid

Formula

C6 H12 O7

Formal charge

0

Molecular weight

196.155 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(O)C(O)C(O)C(O)C(O)CO
SMILES CACTVS 3.341 OC[CH](O)[CH](O)[CH](O)[CH](O)C(O)=O
SMILES OpenEye OEToolkits 1.5.0 C(C(C(C(C(C(=O)O)O)O)O)O)O
Canonical SMILES CACTVS 3.341 OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 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-/m1/s1

IUPAC InChI key

RGHNJXZEOKUKBD-SQOUGZDYSA-N
GCO

wwPDB Information

Atom count

25 (13 without Hydrogen)

Polymer type

Saccharide

Type description

D-saccharide

Type code

ATOMS

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2020-07-17

Status

Released

Obsoleted

Not Assigned