(Q27139974)

NeuAcalpha2-3Galbeta1-4GlcNAcbeta1-3GalNAcbeta (English)

7 October 2016

chemical formula

C₃₃H₅₅N₃O₂₄

1 reference

NeuAcalpha2-3Galbeta1-4GlcNAcbeta1-3GalNAcbeta (English)

7 October 2016

canonical SMILES

CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)O)OC2C(C(OC(C2O)OC3C(OC(C(C3O)NC(=O)C)OC4C(C(OC(C4O)CO)O)NC(=O)C)CO)CO)O)O

1 reference

NeuAcalpha2-3Galbeta1-4GlcNAcbeta1-3GalNAcbeta (English)

7 October 2016

isomeric SMILES

CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)NC(=O)C)O[C@@H]4[C@H]([C@@H](O[C@@H]([C@@H]4O)CO)O)NC(=O)C)CO)CO)O)O

1 reference

NeuAcalpha2-3Galbeta1-4GlcNAcbeta1-3GalNAcbeta (English)

InChI=1S/C33H55N3O24/c1-9(41)34-17-12(44)4-33(32(52)53,59-27(17)20(46)13(45)5-37)60-28-22(48)15(7-39)55-31(24(28)50)57-25-16(8-40)56-30(18(23(25)49)35-10(2)42)58-26-19(36-11(3)43)29(51)54-14(6-38)21(26)47/h12-31,37-40,44-51H,4-8H2,1-3H3,(H,34,41)(H,35,42)(H,36,43)(H,52,53)/t12-,13+,14+,15+,16+,17+,18+,19+,20+,21-,22-,23+,24+,25+,26+,27+,28-,29+,30-,31-,33-/m0/s1

7 October 2016

Identifiers

InChI

1 reference

NeuAcalpha2-3Galbeta1-4GlcNAcbeta1-3GalNAcbeta (English)

CZMMTWLCOJJHAT-VXTISOJBSA-N

7 October 2016

InChIKey

1 reference

NeuAcalpha2-3Galbeta1-4GlcNAcbeta1-3GalNAcbeta (English)

7 October 2016

1 reference

(6R)-5-Acetamido-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-beta-L-threo-hex-2-ulopyranonosyl-(2->3)-beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-2-acetamido-2-d (English)

7 October 2016

2 references