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N-acetyl-4-O-acetylneuraminate

Properties

Image

Occurences in reactions

MNX_ID

MNXM2699

	#reac
in my sandbox	0
in MNXref (generic)	6
in models (compartimentalized)	1

formula

C₁₃H₂₀NO₁₀

charge

-1

mass

350.10927

reference

chebi:29006

InChIKey

LVBIMVQYUKOENY-XAGGSGLKSA-M

InChI

InChI=1S/C13H21NO10/c1-5(16)14-9-8(23-6(2)17)3-13(22,12(20)21)24-11(9)10(19)7(18)4-15/h7-11,15,18-19,22H,3-4H2,1-2H3,(H,14,16)(H,20,21)/p-1/t7-,8+,9-,10-,11-,13+/m1/s1

SMILES

CC(=O)N[C@@H]1[C@@H](OC(C)=O)C[C@@](O)(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:29006 chebi:29006	N-acetyl-4-O-acetylneuraminate 5-acetamido-4-O-acetyl-3,5-dideoxy-D-glycero-beta-D-galacto-non-2-ulopyranosonate N,4-O-Diacetylneuraminate
kegg.compound:C04015 keggC:C04015	N-Acetyl-4-O-acetylneuraminate
seed.compound:cpd02487 seedM:cpd02487	N-Acetyl-4-O-acetylneuraminate N,4-O-Diacetylneuraminate N-acetyl-4-O-acetylneuraminate
hmdb:HMDB0000796	N-Acetyl-4-O-acetylneuraminic acid (2S,4S,5R,6R)-4-(acetyloxy)-5-acetamido-2-hydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid 4-Acetate 5-(acetylamino)-3,5-dideoxy-D-glycero-D-galacto-2-nonulosonate 4-Acetate 5-(acetylamino)-3,5-dideoxy-D-glycero-D-galacto-2-nonulosonic acid 4-Acetate 5-acetamido-3,5-dideoxy-D-glycero-D-galacto-nonulosonate 4-Acetate 5-acetamido-3,5-dideoxy-D-glycero-D-galacto-nonulosonic acid 4-O-Acetyl-N-acetylneuraminate 4-O-Acetyl-N-acetylneuraminic acid N,4-O-Diacetylneuraminate N,4-O-Diacetylneuraminic acid N-Acetyl-4-O-acetylneuraminate Neu4,5ac2
metacyc.compound:CPD-414 metacycM:CPD-414	N-acetyl-4-O-acetylneuraminate
CHEBI:32844 chebi:32844	N-acetyl-4-O-acetylneuraminic acid 4-O-acetyl-N-acetylneuraminic acid 5-acetamido-4-O-acetyl-3,5-dideoxy-D-glycero-beta-D-galacto-non-2-ulopyranosonic acid
hmdb:HMDB00796 chebi:12440 chebi:21495 chebi:21496 chebi:58646 chebi:59449 chebi:7106 keggC:M_C04015 seedM:M_cpd02487	secondary/obsolete/fantasy identifier