EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:100031 - 2-[(3S,6aS,8S,10aS)-1-[cyclopentyl(oxo)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N,N-dimethylacetamide

ChEBI IDCHEBI:100031
ChEBI Name2-[(3S,6aS,8S,10aS)-1-[cyclopentyl(oxo)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N,N-dimethylacetamide
Stars
DownloadsMolfile
FormulaC19H32N2O5
Net Charge0
Average Mass368.474
Monoisotopic Mass368.23112
SMILESCN(C)C(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)C2CCCC2)O1
InChIInChI=1S/C19H32N2O5/c1-20(2)18(23)9-15-7-8-16-17(26-15)12-25-11-14(22)10-21(16)19(24)13-5-3-4-6-13/h13-17,22H,3-12H2,1-2H3/t14-,15-,16-,17+/m0/s1
InChIKeyXUIBJKJBLJUMMA-LUKYLMHMSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(3S,6aS,8S,10aS)-1-[cyclopentyl(oxo)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N,N-dimethylacetamide (CHEBI:100031) is a oxanes (CHEBI:46942)
Manual XrefsDatabases
LSM-11410LINCS