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N-acetyl-9-O-acetylneuraminate

PropertiesImage
MNX_IDMNXM1364460 Image of MNXM1364460
referencechebi:28999
formulaC13H20NO10
global charge-1
mol weight350.3
InChIKeyNYWZBRWKDRMPAS-CHNADMEASA-M
InChIInChI=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
SMILESCC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)COC(C)=O)OC(O)(C(=O)[O-])C[C@@H]1O
MNX internals
InChI (mnx)InChI=1/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)/t7-,8+,9+,10+,11+,13?/m0/s1 Image of MNXM1364460
SMILES (mnx)[CH3:1][C:5](=[N:14][C@@H:9]1[C@@H:7]([OH:17])[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][O:23][C:6]([CH3:2])=[O:16])[OH:18])[OH:19])[OH:15]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)6
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:28999
chebi:28999
NYWZBRWKDRMPAS-CHNADMEASA-M 		N-acetyl-9-O-acetylneuraminate
5-acetamido-9-O-acetyl-3,5-dideoxy-D-glycero-D-galacto-non-2-ulopyranosonate
N,9-O-Diacetylneuraminate
N-Acetyl-9-O-acetylneuraminate

seed.compound:cpd27566
seedM:cpd27566
NYWZBRWKDRMPAS-UHFFFAOYSA-M 		N-ACETYL-O-ACETYLNEURAMINATE

seed.compound:cpd02489
seedM:cpd02489
NYWZBRWKDRMPAS-CHNADMEASA-M 		N-Acetyl-9-O-acetylneuraminate
N,9-O-Diacetylneuraminate
N-acetyl-9-O-acetylneuraminate

kegg.compound:C04017
keggC:C04017
NYWZBRWKDRMPAS-CHNADMEASA-N 		N-Acetyl-9-O-acetylneuraminate
N-Acetyl-9-O-acetylneuraminic acid

metacyc.compound:N-ACETYL-9-O-ACETYLNEURAMINATE
metacycM:N-ACETYL-9-O-ACETYLNEURAMINATE
NYWZBRWKDRMPAS-CHNADMEASA-M 		N-acetyl-9-O-acetylneuraminate

CHEBI:21500
chebi:21500
NYWZBRWKDRMPAS-CHNADMEASA-N 		N-acetyl-9-O-acetylneuraminic acid
5-acetamido-9-O-acetyl-3,5-dideoxy-D-glycero-D-galacto-non-2-ulopyranosonic acid
9-Anana
9-O-Acetyl-N-acetylneuraminic acid
9-O-Acetylsialic acid

CHEBI:182958
chebi:182958
NYWZBRWKDRMPAS-CHNADMEASA-N 		NeuAc9Ac
(4S,5R,6R)-5-acetamido-6-[(1R,2R)-3-acetyloxy-1,2-dihydroxypropyl]-2,4-dihydroxyoxane-2-carboxylic acid

chebi:21499
chebi:7108
keggC:M_C04017
seedM:M_cpd02489
seedM:M_cpd27566 		secondary/obsolete/fantasy identifier