 |
ASP : Summary
Code 
|
ASP
|
One-letter code 
|
D
|
Molecule name 
|
ASPARTIC ACID
|
Systematic names 
|
|
Formula 
|
C4 H7 N O4
|
Formal charge 
|
0
|
Molecular weight 
|
133.103 Da
|
SMILES 
|
Type | Program | Version | Descriptor |
SMILES
|
ACDLabs |
12.01 |
O=C(O)CC(N)C(=O)O |
SMILES
|
CACTVS |
3.370 |
N[CH](CC(O)=O)C(O)=O |
SMILES
|
OpenEye OEToolkits |
1.7.0 |
C(C(C(=O)O)N)C(=O)O |
Canonical SMILES
|
CACTVS |
3.370 |
N[C@@H](CC(O)=O)C(O)=O |
Canonical SMILES
|
OpenEye OEToolkits |
1.7.0 |
C([C@@H](C(=O)O)N)C(=O)O |
|
IUPAC InChI  | InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1 |
IUPAC InChI key  | CKLJMWTZIZZHCS-REOHCLBHSA-N |
Is part of  |
0ZB
, QRG
, VRG
, 5YB
|
|
wwPDB Information |
Atom count 
|
16 (9 without Hydrogen)
|
Polymer type 
|
Amino Acid
|
Type description 
|
L-PEPTIDE LINKING
|
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
|
|