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TPO : Summary
Code 
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TPO
|
One-letter code 
|
T
|
Molecule name 
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PHOSPHOTHREONINE
|
Synonyms 
|
PHOSPHONOTHREONINE
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Systematic names 
|
|
Formula 
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C4 H10 N O6 P
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Formal charge 
|
0
|
Molecular weight 
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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 
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Amino Acid
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Type description 
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L-PEPTIDE LINKING
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Type code 
|
ATOMP
|
Is modified 
|
Yes
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Standard parent 
|
THR
|
Defined at 
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1999-07-08
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Last modified at 
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2020-06-17
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Status 
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Released
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Obsoleted 
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Not Assigned
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