EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:96837 - (8S,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one

ChEBI IDCHEBI:96837
ChEBI Name(8S,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one
Stars
DownloadsMolfile
FormulaC22H34N6O3
Net Charge0
Average Mass430.553
Monoisotopic Mass430.26924
SMILESC[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccncc2)OCc2cn(nn2)CCCC1=O
InChIInChI=1S/C22H34N6O3/c1-17-11-28(18(2)15-29)22(30)5-4-10-27-13-20(24-25-27)16-31-21(17)14-26(3)12-19-6-8-23-9-7-19/h6-9,13,17-18,21,29H,4-5,10-12,14-16H2,1-3H3/t17-,18+,21+/m0/s1
InChIKeyQXBLKCOAOVMUQM-WAOWUJCRSA-N
ChEBI Ontology
Outgoing Relation(s)
(8S,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one (CHEBI:96837) is a azamacrocycle (CHEBI:52898)
(8S,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one (CHEBI:96837) is a lactam (CHEBI:24995)
Manual XrefsDatabases
LSM-8216LINCS