Chemical Components in the PDB

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VAD : Summary

Code

VAD

One-letter code

V

Molecule name

DEAMINOHYDROXYVALINE

Systematic names

ProgramVersionName
ACDLabs 10.04 (2R)-2-hydroxy-3-methylbutanoic acid
OpenEye OEToolkits 1.5.0 (2R)-2-hydroxy-3-methyl-butanoic acid

Formula

C5 H10 O3

Formal charge

0

Molecular weight

118.131 Da

SMILES

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

IUPAC InChI

InChI=1S/C5H10O3/c1-3(2)4(6)5(7)8/h3-4,6H,1-2H3,(H,7,8)/t4-/m1/s1

IUPAC InChI key

NGEWQZIDQIYUNV-SCSAIBSYSA-N
VAD

wwPDB Information

Atom count

18 (8 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