EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:123525 - N-[(2S,3R,6S)-6-[2-(cyclohexylmethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]-4-pyridinecarboxamide

ChEBI IDCHEBI:123525
ChEBI NameN-[(2S,3R,6S)-6-[2-(cyclohexylmethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]-4-pyridinecarboxamide
Stars
DownloadsMolfile
FormulaC21H31N3O4
Net Charge0
Average Mass389.496
Monoisotopic Mass389.23146
SMILESO=C(C[C@@H]1CC[C@@H](NC(=O)c2ccncc2)[C@@H](CO)O1)NCC1CCCCC1
InChIInChI=1S/C21H31N3O4/c25-14-19-18(24-21(27)16-8-10-22-11-9-16)7-6-17(28-19)12-20(26)23-13-15-4-2-1-3-5-15/h8-11,15,17-19,25H,1-7,12-14H2,(H,23,26)(H,24,27)/t17-,18+,19+/m0/s1
InChIKeyBHIMCRWNSGTPOE-IPMKNSEASA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2S,3R,6S)-6-[2-(cyclohexylmethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]-4-pyridinecarboxamide (CHEBI:123525) is a C-glycosyl compound (CHEBI:20857)
Manual XrefsDatabases
LSM-34967LINCS