(Q27139900)

Neu5Acalpha2-6GlcNAcbeta1-4GlcNAcbeta1-4GlcNAc (English)

7 October 2016

chemical formula

C₃₅H₅₈N₄O₂₄

1 reference

Neu5Acalpha2-6GlcNAcbeta1-4GlcNAcbeta1-4GlcNAc (English)

7 October 2016

canonical SMILES

CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)O)OCC2C(C(C(C(O2)OC3C(OC(C(C3O)NC(=O)C)OC4C(OC(C(C4O)NC(=O)C)O)CO)CO)NC(=O)C)O)O)O

1 reference

Neu5Acalpha2-6GlcNAcbeta1-4GlcNAcbeta1-4GlcNAc (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)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)NC(=O)C)O[C@@H]4[C@H](OC([C@@H]([C@H]4O)NC(=O)C)O)CO)CO)NC(=O)C)O)O)O

1 reference

Neu5Acalpha2-6GlcNAcbeta1-4GlcNAcbeta1-4GlcNAc (English)

InChI=1S/C35H58N4O24/c1-10(43)36-19-14(47)5-35(34(55)56,63-30(19)23(49)15(48)6-40)57-9-18-24(50)25(51)21(38-12(3)45)32(60-18)62-29-17(8-42)59-33(22(27(29)53)39-13(4)46)61-28-16(7-41)58-31(54)20(26(28)52)37-11(2)44/h14-33,40-42,47-54H,5-9H2,1-4H3,(H,36,43)(H,37,44)(H,38,45)(H,39,46)(H,55,56)/t14-,15+,16+,17+,18+,19+,20+,21+,22+,23+,24+,25+,26+,27+,28+,29+,30+,31?,32-,33-,35+/m0/s1

7 October 2016

Identifiers

InChI

1 reference

Neu5Acalpha2-6GlcNAcbeta1-4GlcNAcbeta1-4GlcNAc (English)

NBHYMOCQNBSIKE-OOKHPHJMSA-N

7 October 2016

InChIKey

2 references

Neu5Acalpha2-6GlcNAcbeta1-4GlcNAcbeta1-4GlcNAc (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

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

7 October 2016

1 reference