1-(N-Biotinylcaprate)-Lewis A Trisaccharide

Analyte Name

1-(N-Biotinylcaprate)-Lewis A Trisaccharide

Molecular Formula

C36 H60 N4 O18 S

Molecular Weight

868.943

Accurate Mass

868.362

SMILES

C[C@@H]1O[C@@H](O[C@H]2[C@@H](CO)O[C@H](OC(=O)CCCCCNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)[C@@H](NC(=O)C)[C@H]2O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@@H]1O

InChI

InChI=1S/C36H60N4O18S/c1-15-25(46)27(48)29(50)34(53-15)57-31-19(13-42)55-33(24(38-16(2)43)32(31)58-35-30(51)28(49)26(47)18(12-41)54-35)56-22(45)10-4-3-7-11-37-21(44)9-6-5-8-20-23-17(14-59-20)39-36(52)40-23/h15,17-20,23-35,41-42,46-51H,3-14H2,1-2H3,(H,37,44)(H,38,43)(H2,39,40,52)/t15-,17-,18+,19+,20-,23-,24-,25+,26-,27+,28-,29-,30+,31-,32+,33+,34-,35-/m0/s1

IUPAC

[(2R,3S,4R,5R,6R)-3-acetamido-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl] 6-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexanoate

Country of Origin

CANADA

Product Format

Neat