EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:100196 - 2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-cyclopentylacetamide

ChEBI IDCHEBI:100196
ChEBI Name2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-cyclopentylacetamide
Stars
DownloadsMolfile
FormulaC20H28N2O6S
Net Charge0
Average Mass424.519
Monoisotopic Mass424.16681
SMILESCS(=O)(=O)Nc1ccc2c(c1)[C@@H]1C[C@H](CC(=O)NC3CCCC3)O[C@@H](CO)[C@@H]1O2
InChIInChI=1S/C20H28N2O6S/c1-29(25,26)22-13-6-7-17-15(8-13)16-9-14(27-18(11-23)20(16)28-17)10-19(24)21-12-4-2-3-5-12/h6-8,12,14,16,18,20,22-23H,2-5,9-11H2,1H3,(H,21,24)/t14-,16+,18+,20-/m1/s1
InChIKeyBEWGTMHICYCEOA-VKSDOSABSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-cyclopentylacetamide (CHEBI:100196) is a sulfonamide (CHEBI:35358)
Manual XrefsDatabases
LSM-11573LINCS