Chemical Components in the PDB

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FOT : Summary

Code

FOT

One-letter code

X

Molecule name

5-FLUORO-2,6-DIOXO-1,2,3,6-TETRAHYDROPYRIMIDINE-4-CARBOXYLIC ACID

Synonyms

5-FLUOROOROTIC ACID

Systematic names

ProgramVersionName
ACDLabs 10.04 5-fluoro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
OpenEye OEToolkits 1.5.0 5-fluoro-2,6-dioxo-3H-pyrimidine-4-carboxylic acid

Formula

C5 H3 F N2 O4

Formal charge

0

Molecular weight

174.087 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(O)C1=C(F)C(=O)NC(=O)N1
SMILES CACTVS 3.341 OC(=O)C1=C(F)C(=O)NC(=O)N1
SMILES OpenEye OEToolkits 1.5.0 C1(=C(NC(=O)NC1=O)C(=O)O)F
Canonical SMILES CACTVS 3.341 OC(=O)C1=C(F)C(=O)NC(=O)N1
Canonical SMILES OpenEye OEToolkits 1.5.0 C1(=C(NC(=O)NC1=O)C(=O)O)F

IUPAC InChI

InChI=1S/C5H3FN2O4/c6-1-2(4(10)11)7-5(12)8-3(1)9/h(H,10,11)(H2,7,8,9,12)

IUPAC InChI key

SEHFUALWMUWDKS-UHFFFAOYSA-N
FOT

wwPDB Information

Atom count

15 (12 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2006-11-09

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned