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N-acetyl-9-O-acetylneuraminate

MNXM2542 is deprecated and here replaced by MNXM1108067
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM1108067

	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	2

formula

C₁₃H₂₀NO₁₀

charge

-1

mass

350.10927

reference

chebi:28999

InChIKey

NYWZBRWKDRMPAS-GRRZBWEESA-M

InChI

InChI=1S/C13H21NO10/c1-5(15)14-9-7(17)3-13(22,12(20)21)24-11(9)10(19)8(18)4-23-6(2)16/h7-11,17-19,22H,3-4H2,1-2H3,(H,14,15)(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](O)[C@H](O)COC(C)=O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:28999 chebi:28999	N-acetyl-9-O-acetylneuraminate 5-acetamido-9-O-acetyl-3,5-dideoxy-D-glycero-beta-D-galacto-non-2-ulopyranosonate N,9-O-Diacetylneuraminate N-Acetyl-9-O-acetylneuraminate
kegg.compound:C04017 keggC:C04017	N-Acetyl-9-O-acetylneuraminate
hmdb:HMDB0000794	N-Acetyl-9-O-acetylneuraminic acid (2S,4S,5R,6R)-6-[(1R,2R)-3-(acetyloxy)-1,2-dihydroxypropyl]-5-acetamido-2,4-dihydroxyoxane-2-carboxylic acid 9-Anana 9-O-Acetyl-N-acetylneuraminate 9-O-Acetyl-N-acetylneuraminic acid 9-O-Acetylsialate 9-O-Acetylsialic acid 9-O-acetylsialic acid N,9-O-Diacetylneuraminate N,9-O-Diacetylneuraminic acid N-Acetyl-9-O-acetylneuraminate Neu5,9ac2
metacyc.compound:N-ACETYL-9-O-ACETYLNEURAMINATE metacycM:N-ACETYL-9-O-ACETYLNEURAMINATE	N-acetyl-9-O-acetylneuraminate
CHEBI:21500 chebi:21500	N-acetyl-9-O-acetylneuraminic acid 5-acetamido-9-O-acetyl-3,5-dideoxy-D-glycero-beta-D-galacto-non-2-ulopyranosonic acid 9-Anana 9-O-Acetyl-N-acetylneuraminic acid 9-O-Acetylsialic acid
hmdb:HMDB00794 chebi:21499 chebi:7108 keggC:M_C04017	secondary/obsolete/fantasy identifier