EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:112537 - (8S,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-9-(methylaminomethyl)-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-5-one

ChEBI IDCHEBI:112537
ChEBI Name(8S,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-9-(methylaminomethyl)-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-5-one
Stars
DownloadsMolfile
FormulaC16H29N5O3
Net Charge0
Average Mass339.440
Monoisotopic Mass339.22704
SMILESCNC[C@H]1OCc2cnnn2CCCC(=O)N([C@@H](C)CO)C[C@@H]1C
InChIInChI=1S/C16H29N5O3/c1-12-9-20(13(2)10-22)16(23)5-4-6-21-14(7-18-19-21)11-24-15(12)8-17-3/h7,12-13,15,17,22H,4-6,8-11H2,1-3H3/t12-,13-,15+/m0/s1
InChIKeyFOLOUAULJSJVDY-KCQAQPDRSA-N
ChEBI Ontology
Outgoing Relation(s)
(8S,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-9-(methylaminomethyl)-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-5-one (CHEBI:112537) is a azamacrocycle (CHEBI:52898)
(8S,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-9-(methylaminomethyl)-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-5-one (CHEBI:112537) is a lactam (CHEBI:24995)
Manual XrefsDatabases
LSM-23947LINCS