Chemical Components in the PDB

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FK2 : Summary

Code

FK2

One-letter code

X

Molecule name

3-oxidanylidenepropanoic acid

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 3-oxidanylidenepropanoic acid

Formula

C3 H4 O3

Formal charge

0

Molecular weight

88.062 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 OC(=O)CC=O
SMILES OpenEye OEToolkits 2.0.6 C(C=O)C(=O)O
Canonical SMILES CACTVS 3.385 OC(=O)CC=O
Canonical SMILES OpenEye OEToolkits 2.0.6 C(C=O)C(=O)O

IUPAC InChI

InChI=1S/C3H4O3/c4-2-1-3(5)6/h2H,1H2,(H,5,6)

IUPAC InChI key

OAKURXIZZOAYBC-UHFFFAOYSA-N
FK2

wwPDB Information

Atom count

10 (6 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2018-07-14

Last modified at

2019-01-18

Status

Released

Obsoleted

Not Assigned