EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:98116 - N-[2-[(2S,5R,6R)-5-(1,3-benzodioxole-5-carbonylamino)-6-(hydroxymethyl)oxan-2-yl]ethyl]pyrazine-2-carboxamide

ChEBI IDCHEBI:98116
ChEBI NameN-[2-[(2S,5R,6R)-5-(1,3-benzodioxole-5-carbonylamino)-6-(hydroxymethyl)oxan-2-yl]ethyl]pyrazine-2-carboxamide
Stars
DownloadsMolfile
FormulaC21H24N4O6
Net Charge0
Average Mass428.445
Monoisotopic Mass428.16958
SMILESO=C(N[C@@H]1CC[C@@H](CCNC(=O)c2cnccn2)O[C@H]1CO)c1ccc2c(c1)OCO2
InChIInChI=1S/C21H24N4O6/c26-11-19-15(25-20(27)13-1-4-17-18(9-13)30-12-29-17)3-2-14(31-19)5-6-24-21(28)16-10-22-7-8-23-16/h1,4,7-10,14-15,19,26H,2-3,5-6,11-12H2,(H,24,28)(H,25,27)/t14-,15+,19-/m0/s1
InChIKeyOAEJMSHQDKFBTQ-KHYOSLBOSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[2-[(2S,5R,6R)-5-(1,3-benzodioxole-5-carbonylamino)-6-(hydroxymethyl)oxan-2-yl]ethyl]pyrazine-2-carboxamide (CHEBI:98116) is a C-glycosyl compound (CHEBI:20857)
Manual XrefsDatabases
LSM-9495LINCS