|
MHO : Summary
Code
|
MHO
|
One-letter code
|
M
|
Molecule name
|
S-OXYMETHIONINE
|
Systematic names
|
|
Formula
|
C5 H11 N O3 S
|
Formal charge
|
0
|
Molecular weight
|
165.211 Da
|
SMILES
|
Type | Program | Version | Descriptor |
SMILES
|
ACDLabs |
10.04 |
O=C(O)C(N)CCS(=O)C |
SMILES
|
CACTVS |
3.385 |
C[S](=O)CC[CH](N)C(O)=O |
SMILES
|
OpenEye OEToolkits |
1.7.5 |
CS(=O)CCC(C(=O)O)N |
Canonical SMILES
|
CACTVS |
3.385 |
C[S@](=O)CC[C@H](N)C(O)=O |
Canonical SMILES
|
OpenEye OEToolkits |
1.7.5 |
C[S@](=O)CC[C@@H](C(=O)O)N |
|
IUPAC InChI | InChI=1S/C5H11NO3S/c1-10(9)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-,10-/m0/s1 |
IUPAC InChI key | QEFRNWWLZKMPFJ-MFXDVPHUSA-N |
|
wwPDB Information |
Atom count
|
21 (10 without Hydrogen)
|
Polymer type
|
Amino Acid
|
Type description
|
L-PEPTIDE LINKING
|
Type code
|
ATOMP
|
Is modified
|
Yes
|
Standard parent
|
MET
|
Defined at
|
1999-07-08
|
Last modified at
|
2023-11-03
|
Status
|
Released
|
Obsoleted
|
Not Assigned
|
|