Chemical Components in the PDB

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LHV : Summary

Code

LHV

One-letter code

X

Molecule name

(2S)-2-hydroxy-3-methylbutanoic acid

Systematic names

ProgramVersionName
ACDLabs 12.01 (2S)-2-hydroxy-3-methylbutanoic acid
OpenEye OEToolkits 1.7.6 (2S)-3-methyl-2-oxidanyl-butanoic acid

Formula

C5 H10 O3

Formal charge

0

Molecular weight

118.131 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(O)C(O)C(C)C
SMILES CACTVS 3.370 CC(C)[CH](O)C(O)=O
SMILES OpenEye OEToolkits 1.7.6 CC(C)C(C(=O)O)O
Canonical SMILES CACTVS 3.370 CC(C)[C@H](O)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.7.6 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-/m0/s1

IUPAC InChI key

NGEWQZIDQIYUNV-BYPYZUCNSA-N
LHV

wwPDB Information

Atom count

18 (8 without Hydrogen)

Polymer type

Amino Acid

Type description

peptide-like

Type code

ATOMP

Is modified

Yes

Standard parent

UNK

Defined at

2012-10-16

Last modified at

2016-04-15

Status

Released

Obsoleted

Not Assigned