Chemical Components in the PDB

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2TL : Summary

Code

2TL

One-letter code

T

Molecule name

D-allothreonine

Systematic names

ProgramVersionName
ACDLabs 10.04 D-allothreonine
OpenEye OEToolkits 1.5.0 (2R,3R)-2-amino-3-hydroxy-butanoic acid

Formula

C4 H9 N O3

Formal charge

0

Molecular weight

119.119 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(O)C(N)C(O)C
SMILES CACTVS 3.341 C[CH](O)[CH](N)C(O)=O
SMILES OpenEye OEToolkits 1.5.0 CC(C(C(=O)O)N)O
Canonical SMILES CACTVS 3.341 C[C@@H](O)[C@@H](N)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 C[C@H]([C@H](C(=O)O)N)O

IUPAC InChI

InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3-/m1/s1

IUPAC InChI key

AYFVYJQAPQTCCC-PWNYCUMCSA-N
2TL

wwPDB Information

Atom count

17 (8 without Hydrogen)

Polymer type

Amino Acid

Type description

D-peptide linking

Type code

ATOMP

Is modified

Yes

Standard parent

THR

Defined at

2008-06-03

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned