Chemical Components in the PDB

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VAL : Summary

Code

VAL

One-letter code

V

Molecule name

VALINE

Systematic names

ProgramVersionName
ACDLabs 10.04 L-valine
OpenEye OEToolkits 1.5.0 (2S)-2-amino-3-methyl-butanoic acid

Formula

C5 H11 N O2

Formal charge

0

Molecular weight

117.146 Da

SMILES

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

IUPAC InChI

InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m0/s1

IUPAC InChI key

KZSNJWFQEVHDMF-BYPYZUCNSA-N

Is part of

0D0 , 2ZP , 0E2 , 0E3 , LA0 , 0HA , 2Z9
VAL

wwPDB Information

Atom count

19 (8 without Hydrogen)

Polymer type

Amino Acid

Type description

L-PEPTIDE LINKING

Type code

ATOMP

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned