|
VAL : Summary
Code
|
VAL
|
One-letter code
|
V
|
Molecule name
|
VALINE
|
Systematic names
|
|
Formula
|
C5 H11 N O2
|
Formal charge
|
0
|
Molecular weight
|
117.146 Da
|
SMILES
|
Type | Program | Version | Descriptor |
SMILES
|
ACDLabs |
10.04 |
O=C(O)C(N)C(C)C |
SMILES
|
CACTVS |
3.341 |
CC(C)[CH](N)C(O)=O |
SMILES
|
OpenEye OEToolkits |
1.5.0 |
CC(C)C(C(=O)O)N |
Canonical SMILES
|
CACTVS |
3.341 |
CC(C)[C@H](N)C(O)=O |
Canonical SMILES
|
OpenEye OEToolkits |
1.5.0 |
CC(C)[C@@H](C(=O)O)N |
|
IUPAC InChI | InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m0/s1 |
IUPAC InChI key | KZSNJWFQEVHDMF-BYPYZUCNSA-N |
Is part of |
VNK
, UBS
, VSZ
, VPF
, UB3
, ZXX
|
|
wwPDB Information |
Atom count
|
19 (8 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
|
2023-11-03
|
Status
|
Released
|
Obsoleted
|
Not Assigned
|
|