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DR4

Summary
Name:METHYL 9-(BETA-D-TALOPYRANOSYLOXY)NONANOATE
Synonyms:GALACTOSE GREASE
Formula:C16 H30 O8
Formal charge:0
Formula weight:350.405 Da
Component type:SACCHARIDE

Chemical Identifiers

ProgramVersionName
ACDLabs10.04methyl 9-(beta-D-galactopyranosyloxy)nonanoate
OpenEye OEToolkits1.5.0methyl 9-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynonanoate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(OC)CCCCCCCCOC1OC(C(O)C(O)C1O)CO
SMILES_CANONICALCACTVS3.341COC(=O)CCCCCCCCO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
SMILESCACTVS3.341COC(=O)CCCCCCCCO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O
SMILES_CANONICALOpenEye OEToolkits1.5.0COC(=O)CCCCCCCCO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O
SMILESOpenEye OEToolkits1.5.0COC(=O)CCCCCCCCOC1C(C(C(C(O1)CO)O)O)O
InChIInChI1.03InChI=1S/C16H30O8/c1-22-12(18)8-6-4-2-3-5-7-9-23-16-15(21)14(20)13(19)11(10-17)24-16/h11,13-17,19-21H,2-10H2,1H3/t11-,13+,14+,15-,16-/m1/s1
InChIKeyInChI1.03ZJZBQHWSENWEMY-DZQJYWQESA-N

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PDB entries from 2024-07-17

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