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alpha-Neup5Ac-(2->3)-alpha-D-GalpNAc

Properties

Image

Occurences in reactions

MNX_ID

MNXM102586

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

formula

C₁₉H₃₂N₂O₁₄

charge

mass

512.18535

reference

chebi:71564

InChIKey

VTLBCLWKEJHOEE-NAFGUXDZSA-N

InChI

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

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:71564 chebi:71564	alpha-Neup5Ac-(2->3)-alpha-D-GalpNAc 2-acetamido-3-O-{5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl}-2-deoxy-alpha-D-galactopyranose 5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->3)-2-acetamido-2-deoxy-alpha-D-galactopyranose N-acetyl-alpha-neuraminyl-(2->3)-N-acetyl-alpha-D-galactosamine Neu5Aca2-3GalNAca Neu5Acalpha2-3GalNAcalpha WURCS=2.0/2,2,1/[a2112h-1a_1-5_2NCC/3=O][Aad21122h-2a_2-6_5NCC/3=O]/1-2/a3-b2 alpha-Neu5Ac-(2->3)-alpha-D-GalNAc