|
DHA : Summary
Code
|
DHA
|
One-letter code
|
S
|
Molecule name
|
2-AMINO-ACRYLIC ACID
|
Synonyms
|
2,3-DIDEHYDROALANINE
|
Systematic names
|
|
Formula
|
C3 H5 N O2
|
Formal charge
|
0
|
Molecular weight
|
87.077 Da
|
SMILES
|
Type | Program | Version | Descriptor |
SMILES
|
ACDLabs |
10.04 |
O=C(O)C(=C)\N |
SMILES
|
CACTVS |
3.341 |
NC(=C)C(O)=O |
SMILES
|
OpenEye OEToolkits |
1.5.0 |
C=C(C(=O)O)N |
Canonical SMILES
|
CACTVS |
3.341 |
NC(=C)C(O)=O |
Canonical SMILES
|
OpenEye OEToolkits |
1.5.0 |
C=C(C(=O)O)N |
|
IUPAC InChI | InChI=1S/C3H5NO2/c1-2(4)3(5)6/h1,4H2,(H,5,6) |
IUPAC InChI key | UQBOJOOOTLPNST-UHFFFAOYSA-N |
|
wwPDB Information |
Atom count
|
11 (6 without Hydrogen)
|
Polymer type
|
Amino Acid
|
Type description
|
PEPTIDE LINKING
|
Type code
|
ATOMP
|
Is modified
|
Yes
|
Standard parent
|
SER
|
Defined at
|
1999-11-22
|
Last modified at
|
2023-11-03
|
Status
|
Released
|
Obsoleted
|
Not Assigned
|
|