Chemical Components in the PDB

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HPA : Summary

Code

HPA

One-letter code

X

Molecule name

HYPOXANTHINE

Systematic names

ProgramVersionName
ACDLabs 10.04 1,7-dihydro-6H-purin-6-one
OpenEye OEToolkits 1.5.0 1,7-dihydropurin-6-one

Formula

C5 H4 N4 O

Formal charge

0

Molecular weight

136.111 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C1c2c(N=CN1)ncn2
SMILES CACTVS 3.341 O=C1NC=Nc2nc[nH]c12
SMILES OpenEye OEToolkits 1.5.0 c1[nH]c2c(n1)N=CNC2=O
Canonical SMILES CACTVS 3.341 O=C1NC=Nc2nc[nH]c12
Canonical SMILES OpenEye OEToolkits 1.5.0 c1[nH]c2c(n1)N=CNC2=O

IUPAC InChI

InChI=1S/C5H4N4O/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10)

IUPAC InChI key

FDGQSTZJBFJUBT-UHFFFAOYSA-N
HPA

wwPDB Information

Atom count

14 (10 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned