Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

ANS

Summary
Name:5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONIC ACID(DANSYL ACID)
Synonyms:DANSYL ACID
Formula:C12 H13 N O3 S
Formal charge:0
Formula weight:251.302 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.045-(dimethylamino)naphthalene-1-sulfonic acid
OpenEye OEToolkits1.5.05-dimethylaminonaphthalene-1-sulfonic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=S(=O)(O)c1cccc2c1cccc2N(C)C
SMILES_CANONICALCACTVS3.341CN(C)c1cccc2c1cccc2[S](O)(=O)=O
SMILESCACTVS3.341CN(C)c1cccc2c1cccc2[S](O)(=O)=O
SMILES_CANONICALOpenEye OEToolkits1.5.0CN(C)c1cccc2c1cccc2S(=O)(=O)O
SMILESOpenEye OEToolkits1.5.0CN(C)c1cccc2c1cccc2S(=O)(=O)O
InChIInChI1.03InChI=1S/C12H13NO3S/c1-13(2)11-7-3-6-10-9(11)5-4-8-12(10)17(14,15)16/h3-8H,1-2H3,(H,14,15,16)
InChIKeyInChI1.03BBEQQKBWUHCIOU-UHFFFAOYSA-N

223790

PDB entries from 2024-08-14

PDB statisticsPDBj update infoContact PDBjnumon