Compound Synopsis
Compound Overview
Bioactivity Data Summary
Protein Affinity Profile
Cellline Sensitivity Profile

1021729 - Overview - Compound Synopsis

Synonyms
ACENEURAMIC ACIDAceneuramic Acid
SI3UX-001
Molecular Formula
C11H19NO9
InChI
InChI=1S/C11H19NO9/c1-4(14)12-8(5(15)2-6(16)11(20)21)10(19)9(18)7(17)3-13/h5,7-10,13,15,17-19H,2-3H2,1H3,(H,12,14)(H,20,21)/t5-,7+,8+,9+,10+/m0/s1
Smiles
CC(=O)N[C@H]([C@@H](O)CC(=O)C(=O)O)[C@@H](O)[C@H](O)[C@H](O)CO
Cross References
UniChem27272152
canSAR1021729
ChEMBLCHEMBL2105945
PDBe (Protein Data Bank Europe)SI3
Commercially Available
Unknown


MOLECULAR_WEIGHT ALOGP HBOND_DONORS HBOND_ACCEPTORS ATOMS CONTAINS_TOXICOPHORE
Properties 309.105981188-4.029271040No