Chemical Components in the PDB

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CYT : Summary

Code

CYT

One-letter code

X

Molecule name

6-AMINOPYRIMIDIN-2(1H)-ONE

Synonyms

CYTOSINE

Systematic names

ProgramVersionName
ACDLabs 10.04 6-aminopyrimidin-2(1H)-one
OpenEye OEToolkits 1.5.0 4-amino-3H-pyrimidin-2-one

Formula

C4 H5 N3 O

Formal charge

0

Molecular weight

111.102 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C1N=CC=C(N)N1
SMILES CACTVS 3.341 NC1=CC=NC(=O)N1
SMILES OpenEye OEToolkits 1.5.0 C1=C(NC(=O)N=C1)N
Canonical SMILES CACTVS 3.341 NC1=CC=NC(=O)N1
Canonical SMILES OpenEye OEToolkits 1.5.0 C1=C(NC(=O)N=C1)N

IUPAC InChI

InChI=1S/C4H5N3O/c5-3-1-2-6-4(8)7-3/h1-2H,(H3,5,6,7,8)

IUPAC InChI key

OPTASPLRGRRNAP-UHFFFAOYSA-N
CYT

wwPDB Information

Atom count

13 (8 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2007-01-29

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned