 |
SIN : Summary
Code 
|
SIN
|
One-letter code 
|
X
|
Molecule name 
|
SUCCINIC ACID
|
Systematic names 
|
|
Formula 
|
C4 H6 O4
|
Formal charge 
|
0
|
Molecular weight 
|
118.088 Da
|
SMILES 
|
Type | Program | Version | Descriptor |
SMILES
|
ACDLabs |
12.01 |
O=C(O)CCC(=O)O |
SMILES
|
CACTVS |
3.370 |
OC(=O)CCC(O)=O |
SMILES
|
OpenEye OEToolkits |
1.7.0 |
C(CC(=O)O)C(=O)O |
Canonical SMILES
|
CACTVS |
3.370 |
OC(=O)CCC(O)=O |
Canonical SMILES
|
OpenEye OEToolkits |
1.7.0 |
C(CC(=O)O)C(=O)O |
|
IUPAC InChI  | InChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8) |
IUPAC InChI key  | KDYFGRWQOYBRFD-UHFFFAOYSA-N |
Is part of  |
K7J
, 0H8
|
|
wwPDB Information |
Atom count 
|
14 (8 without Hydrogen)
|
Polymer type 
|
Bound ligand
|
Type description 
|
NON-POLYMER
|
Type code 
|
ATOMP
|
Is modified 
|
No
|
Standard parent 
|
Not Assigned
|
Defined at 
|
1999-07-08
|
Last modified at 
|
2011-06-04
|
Status 
|
Released
|
Obsoleted 
|
Not Assigned
|
|