 |
DBU : Summary
Code 
|
DBU
|
One-letter code 
|
T
|
Molecule name 
|
(2Z)-2-AMINOBUT-2-ENOIC ACID
|
Synonyms 
|
Z-DEHYDROBUTYRINE
|
Systematic names 
|
|
Formula 
|
C4 H7 N O2
|
Formal charge 
|
0
|
Molecular weight 
|
101.104 Da
|
SMILES 
|
Type | Program | Version | Descriptor |
SMILES
|
ACDLabs |
10.04 |
O=C(O)C(=C/C)/N |
SMILES
|
CACTVS |
3.341 |
CC=C(N)C(O)=O |
SMILES
|
OpenEye OEToolkits |
1.5.0 |
CC=C(C(=O)O)N |
Canonical SMILES
|
CACTVS |
3.341 |
C\C=C(/N)C(O)=O |
Canonical SMILES
|
OpenEye OEToolkits |
1.5.0 |
C\C=C(\C(=O)O)/N |
|
IUPAC InChI  | InChI=1S/C4H7NO2/c1-2-3(5)4(6)7/h2H,5H2,1H3,(H,6,7)/b3-2- |
IUPAC InChI key  | PAWSVPVNIXFKOS-IHWYPQMZSA-N |
|
wwPDB Information |
Atom count 
|
14 (7 without Hydrogen)
|
Polymer type 
|
Amino Acid
|
Type description 
|
PEPTIDE LINKING
|
Type code 
|
ATOMP
|
Is modified 
|
Yes
|
Standard parent 
|
THR
|
Defined at 
|
2004-03-16
|
Last modified at 
|
2020-06-17
|
Status 
|
Released
|
Obsoleted 
|
Not Assigned
|
|