|
NMG : Summary
Code
|
NMG
|
One-letter code
|
X
|
Molecule name
|
GUANIDINO ACETATE
|
Systematic names
|
|
Formula
|
C3 H7 N3 O2
|
Formal charge
|
0
|
Molecular weight
|
117.107 Da
|
SMILES
|
Type | Program | Version | Descriptor |
SMILES
|
ACDLabs |
10.04 |
O=C(O)CNC(=[N@H])N |
SMILES
|
CACTVS |
3.341 |
NC(=N)NCC(O)=O |
SMILES
|
OpenEye OEToolkits |
1.5.0 |
[H]N=C(N)NCC(=O)O |
Canonical SMILES
|
CACTVS |
3.341 |
NC(=N)NCC(O)=O |
Canonical SMILES
|
OpenEye OEToolkits |
1.5.0 |
[H]/N=C(/N)\NCC(=O)O |
|
IUPAC InChI | InChI=1S/C3H7N3O2/c4-3(5)6-1-2(7)8/h1H2,(H,7,8)(H4,4,5,6) |
IUPAC InChI key | BPMFZUMJYQTVII-UHFFFAOYSA-N |
|
wwPDB Information |
Atom count
|
15 (8 without Hydrogen)
|
Polymer type
|
Bound ligand
|
Type description
|
NON-POLYMER
|
Type code
|
HETAIN
|
Is modified
|
No
|
Standard parent
|
Not Assigned
|
Defined at
|
2004-09-21
|
Last modified at
|
2021-03-01
|
Status
|
Released
|
Obsoleted
|
Not Assigned
|
|