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

IVF , 3TL , 1Z7 , UBS , 0E9 , 1G5 , 4PK , 0Q4 , 0ZY , 838 , HH0 , RIT , 5S4 , 0PO , 0ZX , 038 , 076 , 78E , 3WZ , UB3 , M60 , D0R , 0ZW , ONK , 079 , 1ZG , VPF , RSZ , 3WV , 0H8 , 3WD , IVV , 2Z4 , 78R , 5FE , 4Q5 , GHJ , 3WY , OV2 , OV1
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