PDB Chemical Component HSP

Ideal Model

Chemical Description

Name 4-(2-HYDROXYPHENYLSULFINYL)-BUTYLPHOSPHONIC ACID
Formula C10 H15 O5 P S
Formal charge 0
Molecular weight 278.262 g/mol
Component type NON-POLYMER

Chemical features

Atom count 32
Chiral atom count 1
Chiral atoms S1
Bond count 32
Aromatic bond count 6

Chemical Identifiers

Systematic name (ACDLabs) {4-[(R)-(2-hydroxyphenyl)sulfinyl]butyl}phosphonic acid
Systematic name (OpenEye OEToolkits) 4-[(R)-(2-hydroxyphenyl)sulfinyl]butylphosphonic acid

Chemical Descriptors

Stereo SMILES (CACTVS) Oc1ccccc1[S@](=O)CCCC[P](O)(O)=O
SMILES (CACTVS) Oc1ccccc1[S](=O)CCCC[P](O)(O)=O
Stereo SMILES (OpenEye) c1ccc(c(c1)O)[S@](=O)CCCCP(=O)(O)O
InChI descriptor InChI=1/C10H15O5PS/c11-9-5-1-2-6-10(9)17(15)8-4-3-7-16(12,13)14/h1-2,5-6,11H,3-4,7-8H2,(H2,12,13,14)/t17-/m1/s1/f/h12-13H
InChIKey descriptor FFIGWLBWBXCVHW-YNCWWQRUDG

Status Information

Last modified 2008-10-14
Created 1999-08-30
Release status REL
Model PDB code 1CW2
Processing site RCSB