Chemical Components in the PDB

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SKG : Summary

Code

SKG

One-letter code

X

Molecule name

4-methylisoleucine

Synonyms

2~{S},3~{S})-2-azanyl-3,4-dimethyl-pentanoic acid

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 (2~{S},3~{S})-2-azanyl-3,4-dimethyl-pentanoic acid

Formula

C7 H15 N O2

Formal charge

0

Molecular weight

145.199 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CC(C)[CH](C)[CH](N)C(O)=O
SMILES OpenEye OEToolkits 2.0.7 CC(C)C(C)C(C(=O)O)N
Canonical SMILES CACTVS 3.385 CC(C)[C@H](C)[C@H](N)C(O)=O
Canonical SMILES OpenEye OEToolkits 2.0.7 C[C@H]([C@@H](C(=O)O)N)C(C)C

IUPAC InChI

InChI=1S/C7H15NO2/c1-4(2)5(3)6(8)7(9)10/h4-6H,8H2,1-3H3,(H,9,10)/t5-,6-/m0/s1

IUPAC InChI key

VFEDCKXLINRKLV-WDSKDSINSA-N
SKG

wwPDB Information

Atom count

25 (10 without Hydrogen)

Polymer type

Amino Acid

Type description

L-peptide linking

Type code

ATOMP

Is modified

No

Standard parent

Not Assigned

Defined at

2020-03-10

Last modified at

2023-11-03

Status

Released

Obsoleted

Not Assigned