|
OSE : Summary
Code
|
OSE
|
One-letter code
|
S
|
Molecule name
|
O-SULFO-L-SERINE
|
Systematic names
|
|
Formula
|
C3 H7 N O6 S
|
Formal charge
|
0
|
Molecular weight
|
185.156 Da
|
SMILES
|
Type | Program | Version | Descriptor |
SMILES
|
ACDLabs |
10.04 |
O=S(=O)(O)OCC(C(=O)O)N |
SMILES
|
CACTVS |
3.341 |
N[CH](CO[S](O)(=O)=O)C(O)=O |
SMILES
|
OpenEye OEToolkits |
1.5.0 |
C(C(C(=O)O)N)OS(=O)(=O)O |
Canonical SMILES
|
CACTVS |
3.341 |
N[C@@H](CO[S](O)(=O)=O)C(O)=O |
Canonical SMILES
|
OpenEye OEToolkits |
1.5.0 |
C([C@@H](C(=O)O)N)OS(=O)(=O)O |
|
IUPAC InChI | InChI=1S/C3H7NO6S/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9)/t2-/m0/s1 |
IUPAC InChI key | LFZGUGJDVUUGLK-REOHCLBHSA-N |
|
wwPDB Information |
Atom count
|
18 (11 without Hydrogen)
|
Polymer type
|
Amino Acid
|
Type description
|
L-PEPTIDE LINKING
|
Type code
|
ATOMP
|
Is modified
|
Yes
|
Standard parent
|
SER
|
Defined at
|
2005-02-24
|
Last modified at
|
2023-11-03
|
Status
|
Released
|
Obsoleted
|
Not Assigned
|
|