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N-acetyl-beta-neuraminyl-(2->6)-N-acetyl-alpha-D-galactosamine

Properties

Image

Occurences in reactions

MNX_ID

MNXM107008

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₁₉H₃₂N₂O₁₄

charge

mass

512.18535

reference

chebi:71557

InChIKey

CZOGCRVBCLRHQJ-NAFGUXDZSA-N

InChI

InChI=1S/C19H32N2O14/c1-6(23)20-11-8(25)3-19(18(31)32,35-16(11)13(27)9(26)4-22)33-5-10-14(28)15(29)12(17(30)34-10)21-7(2)24/h8-17,22,25-30H,3-5H2,1-2H3,(H,20,23)(H,21,24)(H,31,32)/t8-,9+,10+,11+,12+,13+,14-,15+,16+,17-,19-/m0/s1

SMILES

CC(=O)N[C@H]1[C@@H](O)O[C@H](CO[C@@]2(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O2)[C@H](O)[C@@H]1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:71557 chebi:71557	N-acetyl-beta-neuraminyl-(2->6)-N-acetyl-alpha-D-galactosamine (5-acetamido-3,5-dideoxy-D-glycero-beta-D-galacto-nonulopyranosylonic acid)-(2->6)-2-acetamido-2-deoxy-alpha-D-galactopyranose 5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->6)-2-acetamido-2-deoxy-alpha-D-galactopyranose Neu5Acb2-6GalNAca Neu5Acbeta2-6GalNAcalpha WURCS=2.0/2,2,1/[a2112h-1a_1-5_2NCC/3=O][Aad21122h-2b_2-6_5NCC/3=O]/1-2/a6-b2 beta-N-acetylneuraminyl-(2->6)-N-acetyl-alpha-D-galactosamine