EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:97032 - (8S,9R)-9-[(dimethylamino)methyl]-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one

ChEBI IDCHEBI:97032
ChEBI Name(8S,9R)-9-[(dimethylamino)methyl]-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one
Stars
DownloadsMolfile
FormulaC17H31N5O3
Net Charge0
Average Mass353.467
Monoisotopic Mass353.24269
SMILESC[C@H]1CN([C@@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@H]1CN(C)C
InChIInChI=1S/C17H31N5O3/c1-13-8-22(14(2)11-23)17(24)6-5-7-21-9-15(18-19-21)12-25-16(13)10-20(3)4/h9,13-14,16,23H,5-8,10-12H2,1-4H3/t13-,14-,16-/m0/s1
InChIKeyWAHUPRWPWKVPJH-DZKIICNBSA-N
ChEBI Ontology
Outgoing Relation(s)
(8S,9R)-9-[(dimethylamino)methyl]-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one (CHEBI:97032) is a azamacrocycle (CHEBI:52898)
(8S,9R)-9-[(dimethylamino)methyl]-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one (CHEBI:97032) is a lactam (CHEBI:24995)
Manual XrefsDatabases
LSM-8411LINCS