Chemical Components in the PDB

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1LD : Summary

Code

1LD

One-letter code

X

Molecule name

5-fluorocytosine

Synonyms

4-amino-5-fluoropyrimidin-2(1H)-one

Systematic names

ProgramVersionName
ACDLabs 12.01 4-amino-5-fluoropyrimidin-2(1H)-one
OpenEye OEToolkits 1.7.6 4-azanyl-5-fluoranyl-1H-pyrimidin-2-one

Formula

C4 H4 F N3 O

Formal charge

0

Molecular weight

129.092 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 FC1=CNC(=O)N=C1N
SMILES CACTVS 3.370 NC1=NC(=O)NC=C1F
SMILES OpenEye OEToolkits 1.7.6 C1=C(C(=NC(=O)N1)N)F
Canonical SMILES CACTVS 3.370 NC1=NC(=O)NC=C1F
Canonical SMILES OpenEye OEToolkits 1.7.6 C1=C(C(=NC(=O)N1)N)F

IUPAC InChI

InChI=1S/C4H4FN3O/c5-2-1-7-4(9)8-3(2)6/h1H,(H3,6,7,8,9)

IUPAC InChI key

XRECTZIEBJDKEO-UHFFFAOYSA-N
1LD

wwPDB Information

Atom count

13 (9 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2013-03-18

Last modified at

2014-03-14

Status

Released

Obsoleted

Not Assigned