PDB Chemical Component ALG

Ideal Model

Chemical Description

Name GUANIDINOBUTYRYL GROUP
Formula C5 H11 N3 O
Formal charge 0
Molecular weight 129.160 g/mol
Component type L-PEPTIDE LINKING
Nonstandard Parent Id ARG

Chemical features

Atom count 20
Chiral atom count 0
Bond count 19
Aromatic bond count 0

Chemical Identifiers

Systematic name (ACDLabs) 1-(4-oxobutyl)guanidine
Systematic name (OpenEye OEToolkits) 1-(4-oxobutyl)guanidine

Chemical Descriptors

Stereo SMILES (CACTVS) NC(=N)NCCCC=O
SMILES (CACTVS) NC(=N)NCCCC=O
Stereo SMILES (OpenEye) [H]/N=C(\N)/NCCCC=O
InChI descriptor InChI=1/C5H11N3O/c6-5(7)8-3-1-2-4-9/h4H,1-3H2,(H4,6,7,8)/f/h6,8H,7H2/b6-5+
InChIKey descriptor VCOFTLCIPLEZKE-AAJMIFNQDQ

Status Information

Last modified 2009-01-07
Created 1999-07-08
Release status REL
Model PDB code 1HDT
Processing site EBI