Chemical Components in the PDB

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TBG : Summary

Code

TBG

One-letter code

V

Molecule name

3-methyl-L-valine

Systematic names

ProgramVersionName
ACDLabs 12.01 3-methyl-L-valine
OpenEye OEToolkits 1.7.0 (2S)-2-azanyl-3,3-dimethyl-butanoic acid

Formula

C6 H13 N O2

Formal charge

0

Molecular weight

131.173 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(O)C(N)C(C)(C)C
SMILES CACTVS 3.370 CC(C)(C)[CH](N)C(O)=O
SMILES OpenEye OEToolkits 1.7.0 CC(C)(C)C(C(=O)O)N
Canonical SMILES CACTVS 3.370 CC(C)(C)[C@H](N)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.7.0 CC(C)(C)[C@@H](C(=O)O)N

IUPAC InChI

InChI=1S/C6H13NO2/c1-6(2,3)4(7)5(8)9/h4H,7H2,1-3H3,(H,8,9)/t4-/m1/s1

IUPAC InChI key

NPDBDJFLKKQMCM-SCSAIBSYSA-N

Is part of

4SL , U5G
TBG

wwPDB Information

Atom count

22 (9 without Hydrogen)

Polymer type

Amino Acid

Type description

L-PEPTIDE LINKING

Type code

ATOMP

Is modified

Yes

Standard parent

VAL

Defined at

1999-07-08

Last modified at

2023-11-03

Status

Released

Obsoleted

Not Assigned