N-Acetylneuraminic acid

• N-Acetylneuraminic acid
• bmse000057 - data
• bmst000276 - theory

InCHi String:
InChI=1S/C11H19NO9/c1-4(14)12-7-5(15)2-11(20,10(18)19)21-9(7)8(17)6(16)3-13/h5-9,13,15-17,20H,2-3H2,1H3,(H,12,14)(H,18,19)/t5-,6+,7+,8+,9+,11?/m0/s1

isomeric SMILES:
CC(=O)N[C@@H]1[C@H](CC(O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O
canonical SMILES:
CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)O)O)O


IUPAC: IUPAC systematic
(4S,5R,6R)-5-acetamido-2,4-dihydroxy-6-[(1S,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

IUPAC traditional: IUPAC cas: IUPAC openeye
(4S,5R,6R)-5-acetamido-2,4-dihydroxy-6-[(1S,2R)-1,2,3-trihydroxypropyl]tetrahydropyran-2-carboxylic acid



PubChem Substance (SID):   85164905   3568
PubChem Compound (CID):   439197
KEGG: Compound ID   C00270
CAS Registry IDs:   131-48-6
PDB Chemical Component   NAN   SI2   SIA   SLB
Miscellaneous Databases and IDs:   CHEBI 17012