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

DGO

Summary
Name:D-glucal
Formula:C6 H10 O4
Formal charge:0
Formula weight:146.141 Da
Component type:D-saccharide

Chemical Identifiers

ProgramVersionName
ACDLabs12.011,5-anhydro-2-deoxy-D-arabino-hex-1-enitol
OpenEye OEToolkits2.0.4(2~{R},3~{S},4~{R})-2-(hydroxymethyl)-3,4-dihydro-2~{H}-pyran-3,4-diol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C=1OC(C(C(C=1)O)O)CO
InChIInChI1.03InChI=1S/C6H10O4/c7-3-5-6(9)4(8)1-2-10-5/h1-2,4-9H,3H2/t4-,5-,6+/m1/s1
InChIKeyInChI1.03YVECGMZCTULTIS-PBXRRBTRSA-N
SMILES_CANONICALCACTVS3.385OC[C@H]1OC=C[C@@H](O)[C@@H]1O
SMILESCACTVS3.385OC[CH]1OC=C[CH](O)[CH]1O
SMILES_CANONICALOpenEye OEToolkits2.0.4C1=CO[C@@H]([C@H]([C@@H]1O)O)CO
SMILESOpenEye OEToolkits2.0.4C1=COC(C(C1O)O)CO

222415

数据于2024-07-10公开中

PDB statisticsPDBj update infoContact PDBjnumon