DAN

2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID


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Chemical Component Summary

Name2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID
SynonymsNeu5Ac2en
Identifiers(4S,5R,6R)-5-acetamido-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-5,6-dihydro-4H-pyran-2-carboxylic acid
FormulaC11 H17 N O8
Molecular Weight291.255
TypeD-SACCHARIDE
Isomeric SMILESCC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H]([C@@H](CO)O)O)C(=O)O)O
InChIInChI=1S/C11H17NO8/c1-4(14)12-8-5(15)2-7(11(18)19)20-10(8)9(17)6(16)3-13/h2,5-6,8-10,13,15-17H,3H2,1H3,(H,12,14)(H,18,19)/t5-,6+,8+,9+,10+/m0/s1
InChIKeyJINJZWSZQKHCIP-UFGQHTETSA-N

Chemical Details

Formal Charge0
Atom Count37
Chiral Atom Count5
Bond Count37
Aromatic Bond Count0

Drug Info: DrugBank

DrugBank IDDB03991 
Name2-deoxy-2,3-dehydro-N-acetylneuraminic acid
Groups experimental
Synonyms
  • Neu2en5Ac
  • 2-deoxy-2,3-dehydro-N-acetylneuraminic acid
Categories
  • Acids, Acyclic
  • Amino Sugars
  • Carbohydrates
  • Enzyme Inhibitors
  • Hydroxy Acids
CAS number24967-27-9

Drug Targets

NameTarget SequencePharmacological ActionActions
Hemagglutinin-neuraminidaseMEYWKHTNHGKDAGNELETSMATHGNKLTNKIIYILWTIILVLLSIVFII...unknown
SialidaseMTANPYLRRLPRRRAVSFLLAPALAAATVAGASPAQAIAGAPVPPGGEPL...unknown
NeuraminidaseMNPNQKILCTSATALVIGTIAVLIGITNLGLNIGLHLKPSCNCSHSQPEA...unknown
Hemagglutinin-neuraminidaseMDRAVSQVALENDEREAKNTWRLIFRIAILLLTVVTLATSVASLVYSMGA...unknown
Sialidase-2MASLPVLQKESVFQSGAHAYRIPALLYLPGQQSLLAFAEQRASKKDEHAE...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
Pharos CHEMBL96712
PubChem 65309
ChEMBL CHEMBL96712
ChEBI CHEBI:28062