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N-acetyl-7-O-acetylneuraminic acid

MNXM4700 is deprecated and here replaced by MNXM1369651
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1369651 Image of MNXM1369651
referencechebi:21498
formulaC13H21NO10
global charge0
mol weight351.308
InChIKeyDUOKWMWKFGDUDQ-BGUFGTBISA-N
InChIInChI=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)/t7-,8?,9+,10?,11+,13?/m0/s1
SMILESCC(=O)N[C@@H]1[C@@H](O)CC(O)(C(=O)O)O[C@H]1C(OC(C)=O)C(O)CO
MNX internals
InChI (mnx)InChI=1/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)/t7-,8?,9+,10?,11+,13?/m0/s1 Image of MNXM1369651
SMILES (mnx)[CH3:1][C:5](=[N:14][C@@H:9]1[C@@H:7]([OH:18])[CH2:3][C:13]([C:12](=[O:20])[OH:21])([OH:22])[O:24][C@H:11]1[CH:10]([CH:8]([CH2:4][OH:15])[OH:19])[O:23][C:6]([CH3:2])=[O:17])[OH:16]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:21498
chebi:21498
DUOKWMWKFGDUDQ-BGUFGTBISA-N 		N-acetyl-7-O-acetylneuraminic acid
5-acetamido-7-O-acetyl-3,5-dideoxy-D-galacto-non-2-ulopyranosonic acid

CHEBI:28944
chebi:28944
DUOKWMWKFGDUDQ-BGUFGTBISA-M 		N-acetyl-7-O-acetylneuraminate
5-acetamido-7-O-acetyl-3,5-dideoxy-D-galacto-non-2-ulopyranosonate
N,7-O-Diacetylneuraminate
N-Acetyl-7-O-acetylneuraminate

chebi:21497
chebi:7107 		secondary/obsolete/fantasy identifier