Chemical Components in the PDB

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VOL : Summary

Code

VOL

One-letter code

X

Molecule name

L-VALINOL

Systematic names

ProgramVersionName
ACDLabs 10.04 (2S)-2-amino-3-methylbutan-1-ol
OpenEye OEToolkits 1.5.0 (2S)-2-amino-3-methyl-butan-1-ol

Formula

C5 H13 N O

Formal charge

0

Molecular weight

103.163 Da

SMILES

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

IUPAC InChI

InChI=1S/C5H13NO/c1-4(2)5(6)3-7/h4-5,7H,3,6H2,1-2H3/t5-/m1/s1

IUPAC InChI key

NWYYWIJOWOLJNR-RXMQYKEDSA-N
VOL

wwPDB Information

Atom count

20 (7 without Hydrogen)

Polymer type

Amino Acid

Type description

L-PEPTIDE LINKING

Type code

ATOMP

Is modified

Yes

Standard parent

UNK

Defined at

2002-06-26

Last modified at

2023-11-03

Status

Released

Obsoleted

Not Assigned