Chemical Components in the PDB

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U5C : Summary

Code

U5C

One-letter code

X

Molecule name

2,2-bis(oxidanyl)pentanedioic acid

Synonyms

2,2-dihydroxyglutarate
2,2-dihydroxypentanedioic acid

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 2,2-bis(oxidanyl)pentanedioic acid

Formula

C5 H8 O6

Formal charge

0

Molecular weight

164.113 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 OC(=O)CCC(O)(O)C(O)=O
SMILES OpenEye OEToolkits 2.0.7 C(CC(C(=O)O)(O)O)C(=O)O
Canonical SMILES CACTVS 3.385 OC(=O)CCC(O)(O)C(O)=O
Canonical SMILES OpenEye OEToolkits 2.0.7 C(CC(C(=O)O)(O)O)C(=O)O

IUPAC InChI

InChI=1S/C5H8O6/c6-3(7)1-2-5(10,11)4(8)9/h10-11H,1-2H2,(H,6,7)(H,8,9)

IUPAC InChI key

FFGNAYMZNXXDAW-UHFFFAOYSA-N
U5C

wwPDB Information

Atom count

19 (11 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2023-05-03

Last modified at

2023-08-04

Status

Released

Obsoleted

Not Assigned