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

Z3L

Summary
Name:2,3,4,6-tetra-O-acetyl-beta-D-galactopyranose
Formula:C14 H20 O10
Formal charge:0
Formula weight:348.303 Da
Component type:D-saccharide, beta linking

Chemical Identifiers

ProgramVersionName
ACDLabs12.012,3,4,6-tetra-O-acetyl-beta-D-galactopyranose
OpenEye OEToolkits1.7.6[(2R,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-oxidanyl-oxan-2-yl]methyl ethanoate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(OCC1OC(O)C(OC(=O)C)C(OC(=O)C)C1OC(=O)C)C
InChIInChI1.03InChI=1S/C14H20O10/c1-6(15)20-5-10-11(21-7(2)16)12(22-8(3)17)13(14(19)24-10)23-9(4)18/h10-14,19H,5H2,1-4H3/t10-,11+,12+,13-,14-/m1/s1
InChIKeyInChI1.03IEOLRPPTIGNUNP-MBJXGIAVSA-N
SMILES_CANONICALCACTVS3.370CC(=O)OC[C@H]1O[C@@H](O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O
SMILESCACTVS3.370CC(=O)OC[CH]1O[CH](O)[CH](OC(C)=O)[CH](OC(C)=O)[CH]1OC(C)=O
SMILES_CANONICALOpenEye OEToolkits1.7.6CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)OC(=O)C)OC(=O)C)OC(=O)C
SMILESOpenEye OEToolkits1.7.6CC(=O)OCC1C(C(C(C(O1)O)OC(=O)C)OC(=O)C)OC(=O)C

222415

数据于2024-07-10公开中

PDB statisticsPDBj update infoContact PDBjnumon