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

BMN

Summary
Name:(1R)-1,4-anhydro-2-deoxy-1-(3-methoxynaphthalen-2-yl)-5-O-phosphono-D-erythro-pentitol
Formula:C16 H19 O7 P
Formal charge:0
Formula weight:354.292 Da
Component type:DNA LINKING

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(1R)-1,4-anhydro-2-deoxy-1-(3-methoxynaphthalen-2-yl)-5-O-phosphono-D-erythro-pentitol
OpenEye OEToolkits1.7.2[(2R,3S,5R)-5-(3-methoxynaphthalen-2-yl)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=P(O)(OCC3OC(c2cc1ccccc1cc2OC)CC3O)O
InChIInChI1.03InChI=1S/C16H19O7P/c1-21-14-7-11-5-3-2-4-10(11)6-12(14)15-8-13(17)16(23-15)9-22-24(18,19)20/h2-7,13,15-17H,8-9H2,1H3,(H2,18,19,20)/t13-,15+,16+/m0/s1
InChIKeyInChI1.03CYEAIBNOGXXKTF-NUEKZKHPSA-N
SMILES_CANONICALCACTVS3.370COc1cc2ccccc2cc1[C@H]3C[C@H](O)[C@@H](CO[P](O)(O)=O)O3
SMILESCACTVS3.370COc1cc2ccccc2cc1[CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3
SMILES_CANONICALOpenEye OEToolkits1.7.2COc1cc2ccccc2cc1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O
SMILESOpenEye OEToolkits1.7.2COc1cc2ccccc2cc1C3CC(C(O3)COP(=O)(O)O)O

222624

數據於2024-07-17公開中

PDB statisticsPDBj update infoContact PDBjnumon