PDB Chemical Component LYW

Ideal Model

Chemical Description

Name 1-AMINO-1-CARBONYL PENTANE
Formula C6 H13 N O
Formal charge 0
Molecular weight 115.174 g/mol
Component type NON-POLYMER

Chemical features

Atom count 21
Chiral atom count 1
Chiral atoms C1
Bond count 20
Aromatic bond count 0

Chemical Identifiers

Systematic name (ACDLabs) (2S)-2-aminohexanal
Systematic name (OpenEye OEToolkits) (2S)-2-aminohexanal

Chemical Descriptors

Stereo SMILES (CACTVS) CCCC[C@H](N)C=O
SMILES (CACTVS) CCCC[CH](N)C=O
Stereo SMILES (OpenEye) CCCC[C@@H](C=O)N
InChI descriptor InChI=1/C6H13NO/c1-2-3-4-6(7)5-8/h5-6H,2-4,7H2,1H3/t6-/m0/s1
InChIKey descriptor TZJGKUCHNFFHGN-LURJTMIEBN

Status Information

Last modified 2008-10-14
Created 1999-07-08
Release status REL
Model PDB code 1EAG
Processing site RCSB