Chemical Components in the PDB

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TH6 : Summary

Code

TH6

One-letter code

T

Molecule name

4-HYDROXY-L-THREONINE

Systematic names

ProgramVersionName
ACDLabs 10.04 4-hydroxy-L-threonine
OpenEye OEToolkits 1.6.1 (2S,3S)-2-amino-3,4-dihydroxy-butanoic acid

Formula

C4 H9 N O4

Formal charge

0

Molecular weight

135.119 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(O)C(N)C(O)CO
SMILES CACTVS 3.352 N[CH]([CH](O)CO)C(O)=O
SMILES OpenEye OEToolkits 1.6.1 C(C(C(C(=O)O)N)O)O
Canonical SMILES CACTVS 3.352 N[C@@H]([C@H](O)CO)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.6.1 C([C@H]([C@@H](C(=O)O)N)O)O

IUPAC InChI

InChI=1S/C4H9NO4/c5-3(4(8)9)2(7)1-6/h2-3,6-7H,1,5H2,(H,8,9)/t2-,3+/m1/s1

IUPAC InChI key

JBNUARFQOCGDRK-GBXIJSLDSA-N
TH6

wwPDB Information

Atom count

18 (9 without Hydrogen)

Polymer type

Amino Acid

Type description

L-PEPTIDE LINKING

Type code

ATOMP

Is modified

Yes

Standard parent

THR

Defined at

2009-10-22

Last modified at

2023-11-03

Status

Released

Obsoleted

Not Assigned