|
TPO : Summary
Code
|
TPO
|
One-letter code
|
T
|
Molecule name
|
PHOSPHOTHREONINE
|
Synonyms
|
PHOSPHONOTHREONINE
|
Systematic names
|
|
Formula
|
C4 H10 N O6 P
|
Formal charge
|
0
|
Molecular weight
|
199.099 Da
|
SMILES
|
Type | Program | Version | Descriptor |
SMILES
|
ACDLabs |
10.04 |
O=P(O)(O)OC(C(N)C(=O)O)C |
SMILES
|
CACTVS |
3.341 |
C[CH](O[P](O)(O)=O)[CH](N)C(O)=O |
SMILES
|
OpenEye OEToolkits |
1.5.0 |
CC(C(C(=O)O)N)OP(=O)(O)O |
Canonical SMILES
|
CACTVS |
3.341 |
C[C@@H](O[P](O)(O)=O)[C@H](N)C(O)=O |
Canonical SMILES
|
OpenEye OEToolkits |
1.5.0 |
C[C@H]([C@@H](C(=O)O)N)OP(=O)(O)O |
|
IUPAC InChI | InChI=1S/C4H10NO6P/c1-2(3(5)4(6)7)11-12(8,9)10/h2-3H,5H2,1H3,(H,6,7)(H2,8,9,10)/t2-,3+/m1/s1 |
IUPAC InChI key | USRGIUJOYOXOQJ-GBXIJSLDSA-N |
|
wwPDB Information |
Atom count
|
22 (12 without Hydrogen)
|
Polymer type
|
Amino Acid
|
Type description
|
L-PEPTIDE LINKING
|
Type code
|
ATOMP
|
Is modified
|
Yes
|
Standard parent
|
THR
|
Defined at
|
1999-07-08
|
Last modified at
|
2023-11-03
|
Status
|
Released
|
Obsoleted
|
Not Assigned
|
|