EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:96927 - (8R,9S)-9-[(dimethylamino)methyl]-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-5-one

ChEBI IDCHEBI:96927
ChEBI Name(8R,9S)-9-[(dimethylamino)methyl]-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-5-one
Stars
DownloadsMolfile
FormulaC17H31N5O3
Net Charge0
Average Mass353.467
Monoisotopic Mass353.24269
SMILESC[C@@H]1CN([C@@H](C)CO)C(=O)CCCn2nncc2CO[C@@H]1CN(C)C
InChIInChI=1S/C17H31N5O3/c1-13-9-21(14(2)11-23)17(24)6-5-7-22-15(8-18-19-22)12-25-16(13)10-20(3)4/h8,13-14,16,23H,5-7,9-12H2,1-4H3/t13-,14+,16-/m1/s1
InChIKeyPFQPPSPXSKCUPO-IJEWVQPXSA-N
ChEBI Ontology
Outgoing Relation(s)
(8R,9S)-9-[(dimethylamino)methyl]-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-5-one (CHEBI:96927) is a azamacrocycle (CHEBI:52898)
(8R,9S)-9-[(dimethylamino)methyl]-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-5-one (CHEBI:96927) is a lactam (CHEBI:24995)
Manual XrefsDatabases
LSM-8306LINCS