Chemical Components in the PDB

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EJM : Summary

Code

EJM

One-letter code

X

Molecule name

L-norleucine aldehyde

Synonyms

(2S)-2-azanylhexanal
nleu-al

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 (2~{S})-2-azanylhexanal

Formula

C6 H13 N O

Formal charge

0

Molecular weight

115.174 Da

SMILES

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

IUPAC InChI

InChI=1S/C6H13NO/c1-2-3-4-6(7)5-8/h5-6H,2-4,7H2,1H3/t6-/m0/s1

IUPAC InChI key

TZJGKUCHNFFHGN-LURJTMIESA-N
EJM

wwPDB Information

Atom count

21 (8 without Hydrogen)

Polymer type

Bound ligand

Type description

L-peptide linking

Type code

HETAIN

Is modified

Yes

Standard parent

UNK

Defined at

2022-01-11

Last modified at

2023-11-03

Status

Released

Obsoleted

Not Assigned