PDB Chemical Component B3E

Ideal Model

Chemical Description

Name (3S)-3-AMINOHEXANEDIOIC ACID
Formula C6 H11 N O4
Formal charge 0
Molecular weight 161.156 g/mol
Component type L-PEPTIDE LINKING
Nonstandard Parent Id GLU

Chemical features

Atom count 22
Chiral atom count 1
Chiral atoms CB
Observed leaving atoms OXT H2 HXT
Bond count 21
Aromatic bond count 0

Chemical Identifiers

Systematic name (ACDLabs) (3S)-3-aminohexanedioic acid
Systematic name (OpenEye OEToolkits) (3S)-3-aminohexanedioic acid

Chemical Descriptors

Stereo SMILES (CACTVS) N[C@@H](CCC(O)=O)CC(O)=O
SMILES (CACTVS) N[CH](CCC(O)=O)CC(O)=O
Stereo SMILES (OpenEye) C(CC(=O)O)[C@@H](CC(=O)O)N
InChI descriptor InChI=1/C6H11NO4/c7-4(3-6(10)11)1-2-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11)/t4-/m0/s1/f/h8,10H
InChIKey descriptor XABCFXXGZPWJQP-ZEACDCQADT

Status Information

Last modified 2009-01-07
Created 2007-02-28
Release status REL
Processing site RCSB