GD3-Oligosaccharide

Catalog	BBC38598366
CAS	38598-36-6
Synonyms	Neu5Acα2, 8Neu5Acα2, 3Galβ1, 4Glc
IUPAC Name	(2S,4S,5R,6R)-5-acetamido-6-[(1S,2R)-2-[(2S,4S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-1,3-dihydroxypropyl]-2-[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3R,4R,5R)-1,2,4,5-tetrahydroxy-6-oxohexan-3-yl]oxyoxan-4-yl]oxy-4-hydroxyoxane-2-carboxylic acid
Molecular Weight	924.81
Molecular Formula	C34H56N2O27
Canonical SMILES	CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O[C@@]2(C[C@@H]([C@H]([C@@H](O2)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)(C(=O)O)O[C@H]3[C@H]([C@H](O[C@H]([C@@H]3O)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C=O)O)O)CO)O)O
InChI	InChI=1S/C34H56N2O27/c1-10(42)35-19-12(44)3-33(31(54)55,61-27(19)22(50)15(47)6-38)60-18(9-41)24(52)28-20(36-11(2)43)13(45)4-34(62-28,32(56)57)63-29-23(51)17(8-40)58-30(25(29)53)59-26(16(48)7-39)21(49)14(46)5-37/h5,12-30,38-41,44-53H,3-4,6-9H2,1-2H3,(H,35,42)(H,36,43)(H,54,55)(H,56,57)/t12-,13-,14-,15+,16+,17+,18+,19+,20+,21+,22+,23-,24+,25+,26+,27+,28+,29-,30-,33+,34-/m0/s1
InChI Key	MQZCSQZIUQOHCH-VRYNHTRWSA-N