(Q27123461)

102490-37-9 (English)

6 October 2016

chemical formula

C₂₅H₄₂N₂O₁₉

1 reference

102490-37-9 (English)

6 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)O)CO)CO)O)O

1 reference

102490-37-9 (English)

6 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](OC([C@@H]([C@H]3O)NC(=O)C)O)CO)CO)O)O

1 reference

102490-37-9 (English)

InChI=1S/C25H42N2O19/c1-7(31)26-13-9(33)3-25(24(40)41,45-20(13)15(35)10(34)4-28)46-21-16(36)11(5-29)43-23(18(21)38)44-19-12(6-30)42-22(39)14(17(19)37)27-8(2)32/h9-23,28-30,33-39H,3-6H2,1-2H3,(H,26,31)(H,27,32)(H,40,41)/t9-,10+,11+,12+,13+,14+,15+,16-,17+,18+,19+,20+,21-,22?,23-,25-/m0/s1

6 October 2016

Identifiers

InChI

1 reference

102490-37-9 (English)

GVXWGQLSDZJHFY-DIZWBPKDSA-N

6 October 2016

InChIKey

2 references

102490-37-9 (English)

6 October 2016

stated in

ChEBI release 2020-09-01

1 reference

alpha-N-acetylneuraminosyl-(2->3)-beta-D-galactosyl-(1->4)-N-acetyl-D-glucosamine (English)

6 October 2016

1 reference

102490-37-9 (English)

6 October 2016

Reaxys registry number

4899421

1 reference

alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->4)-D-GlcpNAc (English)

6 October 2016

ChEBI ID

52472

mapping relation type

1 reference