Chemical Components in the PDB

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0FU : Summary

Code

0FU

One-letter code

X

Molecule name

2,5,6-triaminopyrimidin-4-ol

Systematic names

ProgramVersionName
ACDLabs 12.01 2,5,6-triaminopyrimidin-4-ol
OpenEye OEToolkits 1.7.6 2,5,6-tris(azanyl)pyrimidin-4-ol

Formula

C4 H7 N5 O

Formal charge

0

Molecular weight

141.131 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 n1c(N)c(N)c(O)nc1N
SMILES CACTVS 3.370 Nc1nc(N)c(N)c(O)n1
SMILES OpenEye OEToolkits 1.7.6 c1(c(nc(nc1O)N)N)N
Canonical SMILES CACTVS 3.370 Nc1nc(N)c(N)c(O)n1
Canonical SMILES OpenEye OEToolkits 1.7.6 c1(c(nc(nc1O)N)N)N

IUPAC InChI

InChI=1S/C4H7N5O/c5-1-2(6)8-4(7)9-3(1)10/h5H2,(H5,6,7,8,9,10)

IUPAC InChI key

SYEYEGBZVSWYPK-UHFFFAOYSA-N
0FU

wwPDB Information

Atom count

17 (10 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2012-01-04

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned