EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:96160 - (8R,9R)-9-[[(4-hydroxyphenyl)methyl-methylamino]methyl]-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-5-one

ChEBI IDCHEBI:96160
ChEBI Name(8R,9R)-9-[[(4-hydroxyphenyl)methyl-methylamino]methyl]-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-5-one
Stars
DownloadsMolfile
FormulaC23H35N5O4
Net Charge0
Average Mass445.564
Monoisotopic Mass445.26890
SMILESC[C@@H]1CN([C@H](C)CO)C(=O)CCCn2nncc2CO[C@H]1CN(C)Cc1ccc(O)cc1
InChIInChI=1S/C23H35N5O4/c1-17-12-27(18(2)15-29)23(31)5-4-10-28-20(11-24-25-28)16-32-22(17)14-26(3)13-19-6-8-21(30)9-7-19/h6-9,11,17-18,22,29-30H,4-5,10,12-16H2,1-3H3/t17-,18-,22+/m1/s1
InChIKeyQPXXSBPXMIWUTR-HMFYCAOWSA-N
ChEBI Ontology
Outgoing Relation(s)
(8R,9R)-9-[[(4-hydroxyphenyl)methyl-methylamino]methyl]-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-5-one (CHEBI:96160) is a azamacrocycle (CHEBI:52898)
(8R,9R)-9-[[(4-hydroxyphenyl)methyl-methylamino]methyl]-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-5-one (CHEBI:96160) is a lactam (CHEBI:24995)
Manual XrefsDatabases
LSM-7539LINCS