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N-acetyl-7-O-acetylneuraminate

Properties

Image

Occurences in reactions

MNX_ID

MNXM4700

	#reac
in my sandbox	0
in MNXref (generic)	5
in models (compartimentalized)	1

formula

C₁₃H₂₀NO₁₀

charge

-1

mass

350.10927

reference

metacycM:CPD-1803

InChIKey

DUOKWMWKFGDUDQ-GRRZBWEESA-M

InChI

InChI=1S/C13H21NO10/c1-5(16)14-9-7(18)3-13(22,12(20)21)24-11(9)10(8(19)4-15)23-6(2)17/h7-11,15,18-19,22H,3-4H2,1-2H3,(H,14,16)(H,20,21)/p-1/t7-,8+,9+,10+,11+,13-/m0/s1

SMILES

CC(=O)N[C@@H]1[C@@H](O)C[C@@](O)(C(=O)[O-])O[C@H]1[C@H](OC(C)=O)[C@H](O)CO

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
metacyc.compound:CPD-1803 metacycM:CPD-1803	N-acetyl-7-O-acetylneuraminate 7-O-acetyl-N-acetylneuraminate
kegg.compound:C04016 keggC:C04016	N-Acetyl-7-O-acetylneuraminate
seed.compound:cpd02488 seedM:cpd02488	N-Acetyl-7-O-acetylneuraminate 7-O-acetyl-N-acetylneuraminate N,7-O-Diacetylneuraminate N-acetyl-7-O-acetylneuraminate
hmdb:HMDB0000785	N-Acetyl-7-O-acetylneuraminic acid (2S,4S,5R,6R)-6-[(1R,2R)-1-(Acetyloxy)-2,3-dihydroxypropyl]-2,4-dihydroxy-5-[(1-hydroxyethylidene)amino]oxane-2-carboxylate (2S,4S,5R,6R)-6-[(1R,2R)-1-(acetyloxy)-2,3-dihydroxypropyl]-5-acetamido-2,4-dihydroxyoxane-2-carboxylic acid 7-Acetate 5-(acetylamino)-3,5-dideoxy-D-glycero-D-galacto-2-nonulosonate 7-Acetate 5-(acetylamino)-3,5-dideoxy-D-glycero-D-galacto-2-nonulosonic acid 7-Acetate 5-acetamido-3,5-dideoxy-D-glycero-D-galacto-nonulosonate 7-Acetate 5-acetamido-3,5-dideoxy-D-glycero-D-galacto-nonulosonic acid 7-O-Acetyl-N-acetylneuraminate 7-O-Acetyl-N-acetylneuraminic acid N-Acetyl-7-O-acetylneuraminate Neu5,7ac2
CHEBI:28944 chebi:28944	N-acetyl-7-O-acetylneuraminate 5-acetamido-7-O-acetyl-3,5-dideoxy-beta-D-galacto-non-2-ulopyranosonate N,7-O-Diacetylneuraminate N-Acetyl-7-O-acetylneuraminate
CHEBI:21498 chebi:21498	N-acetyl-7-O-acetylneuraminic acid 5-acetamido-7-O-acetyl-3,5-dideoxy-beta-D-galacto-non-2-ulopyranosonic acid
hmdb:HMDB00785 chebi:21497 chebi:7107 keggC:M_C04016 seedM:M_cpd02488	secondary/obsolete/fantasy identifier