|
HPA : Summary
Code
|
HPA
|
One-letter code
|
X
|
Molecule name
|
HYPOXANTHINE
|
Systematic names
|
|
Formula
|
C5 H4 N4 O
|
Formal charge
|
0
|
Molecular weight
|
136.111 Da
|
SMILES
|
Type | Program | Version | Descriptor |
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 |
|
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
|
|