EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:96076 - (8R,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl(7-quinolinylmethyl)amino]methyl]-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one

ChEBI IDCHEBI:96076
ChEBI Name(8R,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl(7-quinolinylmethyl)amino]methyl]-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one
Stars
DownloadsMolfile
FormulaC26H36N6O3
Net Charge0
Average Mass480.613
Monoisotopic Mass480.28489
SMILESC[C@@H]1CN([C@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@@H]1CN(C)Cc1ccc2cccnc2c1
InChIInChI=1S/C26H36N6O3/c1-19-13-32(20(2)17-33)26(34)7-5-11-31-15-23(28-29-31)18-35-25(19)16-30(3)14-21-8-9-22-6-4-10-27-24(22)12-21/h4,6,8-10,12,15,19-20,25,33H,5,7,11,13-14,16-18H2,1-3H3/t19-,20-,25-/m1/s1
InChIKeyPJEXWGOYWCOKCP-UMEGOILYSA-N
ChEBI Ontology
Outgoing Relation(s)
(8R,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl(7-quinolinylmethyl)amino]methyl]-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one (CHEBI:96076) is a azamacrocycle (CHEBI:52898)
(8R,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl(7-quinolinylmethyl)amino]methyl]-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one (CHEBI:96076) is a lactam (CHEBI:24995)
Manual XrefsDatabases
LSM-7455LINCS