PDB Chemical Component TXZ

Ideal Model

Chemical Description

Name O-phosphono-N-(6-sulfanylhexanoyl)-L-threonine
Formula C10 H20 N O7 P S
Formal charge 0
Molecular weight 329.307 g/mol
Component type NON-POLYMER

Chemical features

Atom count 40
Chiral atom count 2
Chiral atoms CA CB
Bond count 39
Aromatic bond count 0

Chemical Identifiers

Systematic name (ACDLabs) O-phosphono-N-(6-sulfanylhexanoyl)-L-threonine
Systematic name (OpenEye OEToolkits) (2S,3R)-3-phosphonooxy-2-(6-sulfanylhexanoylamino)butanoic acid

Chemical Descriptors

Stereo SMILES (CACTVS) C[C@@H](O[P](O)(O)=O)[C@H](NC(=O)CCCCCS)C(O)=O
SMILES (CACTVS) C[CH](O[P](O)(O)=O)[CH](NC(=O)CCCCCS)C(O)=O
Stereo SMILES (OpenEye) C[C@H]([C@@H](C(=O)O)NC(=O)CCCCCS)OP(=O)(O)O
InChI descriptor InChI=1S/C10H20NO7PS/c1-7(18-19(15,16)17)9(10(13)14)11-8(12)5-3-2-4-6-20/h7,9,20H,2-6H2,1H3,(H,11,12)(H,13,14)(H2,15,16,17)/t7-,9+/m1/s1
InChIKey descriptor PRNNQVAYHYUTOD-APPZFPTMSA-N

Status Information

Last modified 2010-09-10
Created 2010-03-12
Release status REL
Model PDB code 3M2U
Processing site RCSB