Chemical Components in the PDB

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J0M : Summary

Code

J0M

One-letter code

X

Molecule name

D-galactonic acid

Synonyms

D-galactonate

Systematic names

ProgramVersionName
ACDLabs 12.01 D-galactonic acid
OpenEye OEToolkits 2.0.6 (2~{R},3~{S},4~{S},5~{R})-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 C(C(C(C(CO)O)O)O)(O)C(O)=O
SMILES CACTVS 3.385 OC[CH](O)[CH](O)[CH](O)[CH](O)C(O)=O
SMILES OpenEye OEToolkits 2.0.6 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 2.0.6 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-/m1/s1

IUPAC InChI key

RGHNJXZEOKUKBD-MGCNEYSASA-N
J0M

wwPDB Information

Atom count

25 (13 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2018-08-02

Last modified at

2019-05-17

Status

Released

Obsoleted

Not Assigned