Chemical Components in the PDB

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0JT : Summary

Code

0JT

One-letter code

X

Molecule name

(4R)-4-amino-5-methylhexanoic acid

Systematic names

ProgramVersionName
ACDLabs 12.01 (4R)-4-amino-5-methylhexanoic acid
OpenEye OEToolkits 1.7.6 (4R)-4-azanyl-5-methyl-hexanoic acid

Formula

C7 H15 N O2

Formal charge

0

Molecular weight

145.2 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(O)CCC(N)C(C)C
SMILES CACTVS 3.370 CC(C)[CH](N)CCC(O)=O
SMILES OpenEye OEToolkits 1.7.6 CC(C)C(CCC(=O)O)N
Canonical SMILES CACTVS 3.370 CC(C)[C@H](N)CCC(O)=O
Canonical SMILES OpenEye OEToolkits 1.7.6 CC(C)[C@@H](CCC(=O)O)N

IUPAC InChI

InChI=1S/C7H15NO2/c1-5(2)6(8)3-4-7(9)10/h5-6H,3-4,8H2,1-2H3,(H,9,10)/t6-/m1/s1

IUPAC InChI key

HYYFSIISRIDZPM-ZCFIWIBFSA-N
0JT

wwPDB Information

Atom count

25 (10 without Hydrogen)

Polymer type

Amino Acid

Type description

PEPTIDE-LIKE

Type code

ATOMP

Is modified

No

Standard parent

Not Assigned

Defined at

2012-08-16

Last modified at

2023-11-03

Status

Released

Obsoleted

Not Assigned