Chemical Components in the PDB

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TPO : Summary

Code

TPO

One-letter code

T

Molecule name

PHOSPHOTHREONINE

Synonyms

PHOSPHONOTHREONINE

Systematic names

ProgramVersionName
ACDLabs 10.04 O-phosphono-L-threonine
OpenEye OEToolkits 1.5.0 (2S,3R)-2-amino-3-phosphonooxy-butanoic acid

Formula

C4 H10 N O6 P

Formal charge

0

Molecular weight

199.099 Da

SMILES

TypeProgramVersionDescriptor
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
TPO

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

2011-06-04

Status

Released

Obsoleted

Not Assigned