EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:101631 - N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-[2-(4-thiazolyl)ethylamino]ethyl]-3,6-dihydro-2H-pyran-3-yl]-4-oxanecarboxamide

ChEBI IDCHEBI:101631
ChEBI NameN-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-[2-(4-thiazolyl)ethylamino]ethyl]-3,6-dihydro-2H-pyran-3-yl]-4-oxanecarboxamide
Stars
DownloadsMolfile
FormulaC19H27N3O5S
Net Charge0
Average Mass409.508
Monoisotopic Mass409.16714
SMILESO=C(C[C@@H]1C=C[C@H](NC(=O)C2CCOCC2)[C@@H](CO)O1)NCCc1cscn1
InChIInChI=1S/C19H27N3O5S/c23-10-17-16(22-19(25)13-4-7-26-8-5-13)2-1-15(27-17)9-18(24)20-6-3-14-11-28-12-21-14/h1-2,11-13,15-17,23H,3-10H2,(H,20,24)(H,22,25)/t15-,16-,17+/m0/s1
InChIKeyQCPIRAQCKOOPTJ-YESZJQIVSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-[2-(4-thiazolyl)ethylamino]ethyl]-3,6-dihydro-2H-pyran-3-yl]-4-oxanecarboxamide (CHEBI:101631) is a pyrans (CHEBI:26407)
Manual XrefsDatabases
LSM-12994LINCS