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

BLT

Summary
Name:1,4-DIDEOXY-1,4-[[2R,3R)-2,4-DIHYDROXY-3-(SULFOXY)BUTYL]EPISELENONIUMYLIDENE]-D-ARABINITOL INNER SALT
Synonyms:DIASTEREOMER OF SELENO-SALACINOL
Formula:C9 H18 O9 S Se
Formal charge:-2
Formula weight:381.259 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04({[(1R,2R)-3-[(2R,3S,4S)-3,4-dihydroxy-2-(hydroxymethyl)tetrahydroselenophenium-1-yl]-2-hydroxy-1-(hydroxymethyl)propyl]oxy}-lambda~4~-sulfanetriyl)trioxidanide (non-preferred name)

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04[O-]S([O-])([O-])OC(CO)C(O)C[Se+]1C(CO)C(O)C(O)C1
SMILES_CANONICALCACTVS3.341OC[C@@H](O[S]([O-])([O-])[O-])[C@@H](O)C[Se@+]1C[C@@H](O)[C@H](O)[C@H]1CO
SMILESCACTVS3.341OC[CH](O[S]([O-])([O-])[O-])[CH](O)C[Se+]1C[CH](O)[CH](O)[CH]1CO
SMILES_CANONICALOpenEye OEToolkits1.5.0C1[C@H]([C@@H]([C@H]([Se@@+]1C[C@@H]([C@@H](CO)OS([O-])([O-])[O-])O)CO)O)O
SMILESOpenEye OEToolkits1.5.0C1C(C(C([Se+]1CC(C(CO)OS([O-])([O-])[O-])O)CO)O)O
InChIInChI1.03InChI=1S/C9H20O9SSe/c10-1-7(18-19(15,16)17)5(12)3-20-4-6(13)9(14)8(20)2-11/h5-14H,1-4H2,(H2-,15,16,17)/p-2/t5-,6+,7+,8+,9-,20+/m0/s1
InChIKeyInChI1.03WLNWUNIGATZIKW-KNCZUUIASA-L

222415

건을2024-07-10부터공개중

PDB statisticsPDBj update infoContact PDBjnumon