Chemical Component Summary

Name4,9-AMINO-2,4-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID
Identifiers(4S,5R,6R)-5-acetamido-4-amino-6-[(1R,2R)-3-amino-1,2-dihydroxy-propyl]-5,6-dihydro-4H-pyran-2-carboxylic acid
FormulaC11 H19 N3 O6
Molecular Weight289.285
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)N
InChIInChI=1S/C11H19N3O6/c1-4(15)14-8-5(13)2-7(11(18)19)20-10(8)9(17)6(16)3-12/h2,5-6,8-10,16-17H,3,12-13H2,1H3,(H,14,15)(H,18,19)/t5-,6+,8+,9+,10+/m0/s1
InChIKeyXDWUALXMEIYOQM-UFGQHTETSA-N

Chemical Details

Formal Charge0
Atom Count39
Chiral Atom Count5
Bond Count39
Aromatic Bond Count0

Related Resource References

Resource NameReference
PubChem 445535
ChEMBL CHEMBL141088