N-acetyl-α-neuraminate

Chemical Formula:

C₁₁H₁₈NO₉

Molecular Weight:

308.264 Daltons

Monoisotopic Mass:

309.10598121400005 Daltons

SMILES:

CC(=O)NC1(C(CC(O)(C([O-])=O)O[CH]1C(O)C(O)CO)O)

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)/p-1/t5-,6+,7+,8+,9+,11+/m0/s1

InChIKey:

SQVRNKJHWKZAKO-YRMXFSIDSA-M

Synonyms

Databases

MetaCyc: CPD0-1122

RefMet: N-Acetyl-a-neuramini N-Acetyl-a-neuraminic acid

PubChem (CID): 11876106

ChEBI: 58770

Seed: cpd21148

HMDB: HMDB00773

MetaNetX: MNXM5833

KEGG: C19909