Chemical Component Summary

Name9-AMINO-2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID
Identifiers(4S,5R,6R)-5-acetamido-6-[(1R,2R)-3-amino-1,2-dihydroxy-propyl]-4-hydroxy-5,6-dihydro-4H-pyran-2-carboxylic acid
FormulaC11 H18 N2 O7
Molecular Weight290.27
TypeD-SACCHARIDE
Isomeric SMILESCC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H]([C@@H](CN)O)O)C(=O)O)O
InChIInChI=1S/C11H18N2O7/c1-4(14)13-8-5(15)2-7(11(18)19)20-10(8)9(17)6(16)3-12/h2,5-6,8-10,15-17H,3,12H2,1H3,(H,13,14)(H,18,19)/t5-,6+,8+,9+,10+/m0/s1
InChIKeyVJTPBNUXDULDQD-UFGQHTETSA-N

Chemical Details

Formal Charge0
Atom Count38
Chiral Atom Count5
Bond Count38
Aromatic Bond Count0

Drug Info: DrugBank

DrugBank IDDB04227 
Name9-Amino-2-deoxy-2,3-dehydro-n-acetyl-neuraminic acid
Groups experimental
Synonyms
  • 9-Amino-2-deoxy-2,3-dehydro-n-acetyl-neuraminic acid
  • (6R)-5-Acetamido-6-[(1R,2R)-3-amino-1,2-dihydroxypropyl]-2,6-anhydro-3,5-dideoxy-L-threo-hex-2-enonic acid

Drug Targets

NameTarget SequencePharmacological ActionActions
NeuraminidaseMNPNQKILCTSATALVIGTIAVLIGITNLGLNIGLHLKPSCNCSHSQPEA...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 445534
ChEMBL CHEMBL140830