Chemical Component Summary

Name2-propenyl-N-acetyl-neuraminic acid
Synonyms2-PROPENYL-N-ACETYL-NEURAMIC ACID
Identifiers(2R,4S,5R,6R)-5-acetamido-4-hydroxy-2-prop-2-enyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
FormulaC14 H23 N O8
Molecular Weight333.334
TypeD-SACCHARIDE
Isomeric SMILESCC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H]([C@@H](CO)O)O)(CC=C)C(=O)O)O
InChIInChI=1S/C14H23NO8/c1-3-4-14(13(21)22)5-8(18)10(15-7(2)17)12(23-14)11(20)9(19)6-16/h3,8-12,16,18-20H,1,4-6H2,2H3,(H,15,17)(H,21,22)/t8-,9+,10+,11+,12+,14+/m0/s1
InChIKeyIUGVDRFIVSPVGO-KXEMTNKZSA-N

Chemical Details

Formal Charge0
Atom Count46
Chiral Atom Count6
Bond Count46
Aromatic Bond Count0

Drug Info: DrugBank

DrugBank IDDB01716 
Name2-propenyl-N-acetyl-neuramic acid
Groups experimental
Synonyms2-propenyl-N-acetyl-neuramic acid

Related Resource References

Resource NameReference
PubChem 449535