Chemical Components in the PDB

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DNE : Summary

Code

DNE

One-letter code

L

Molecule name

D-NORLEUCINE

Systematic names

ProgramVersionName
ACDLabs 10.04 D-norleucine
OpenEye OEToolkits 3.1.0.0 (2~{R})-2-azanylhexanoic acid

Formula

C6 H13 N O2

Formal charge

0

Molecular weight

131.173 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(O)C(N)CCCC
SMILES CACTVS 3.385 CCCC[CH](N)C(O)=O
SMILES OpenEye OEToolkits 3.1.0.0 CCCCC(C(=O)O)N
Canonical SMILES CACTVS 3.385 CCCC[C@@H](N)C(O)=O
Canonical SMILES OpenEye OEToolkits 3.1.0.0 CCCC[C@H](C(=O)O)N

IUPAC InChI

InChI=1S/C6H13NO2/c1-2-3-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m1/s1

IUPAC InChI key

LRQKBLKVPFOOQJ-RXMQYKEDSA-N
DNE

wwPDB Information

Atom count

22 (9 without Hydrogen)

Polymer type

Amino Acid

Type description

D-PEPTIDE LINKING

Type code

ATOMP

Is modified

Yes

Standard parent

LEU

Defined at

2003-11-14

Last modified at

2023-11-03

Status

Released

Obsoleted

Not Assigned