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N-acetyl-7-O-acetylneuraminate

PropertiesImage
MNX_IDMNXM1369652 Image of MNXM1369652
referencemetacycM:CPD-1803
formulaC13H20NO10
global charge-1
mol weight350.3
InChIKeyDUOKWMWKFGDUDQ-GRRZBWEESA-M
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)/p-1/t7-,8+,9+,10+,11+,13-/m0/s1
SMILESCC(=O)N[C@H]1[C@H]([C@H](OC(C)=O)[C@H](O)CO)O[C@](O)(C(=O)[O-])C[C@@H]1O
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 MNXM1369652
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[C@@H:10]([C@@H: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)5
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

metacyc.compound:CPD-1803
metacycM:CPD-1803
DUOKWMWKFGDUDQ-GRRZBWEESA-M 		N-acetyl-7-O-acetylneuraminate
7-O-acetyl-N-acetylneuraminate

kegg.compound:C04016
keggC:C04016
DUOKWMWKFGDUDQ-CHNADMEASA-N 		N-Acetyl-7-O-acetylneuraminate

seed.compound:cpd02488
seedM:cpd02488
DUOKWMWKFGDUDQ-GRRZBWEESA-M 		N-Acetyl-7-O-acetylneuraminate
7-O-acetyl-N-acetylneuraminate
N,7-O-Diacetylneuraminate
N-acetyl-7-O-acetylneuraminate
hmdb:HMDB0000785
DUOKWMWKFGDUDQ-GRRZBWEESA-N 		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

hmdb:HMDB00785
keggC:M_C04016
seedM:M_cpd02488 		secondary/obsolete/fantasy identifier