EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:110916 - (3S,9S,10S)-16-amino-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one

ChEBI IDCHEBI:110916
ChEBI Name(3S,9S,10S)-16-amino-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one
Stars
DownloadsMolfile
FormulaC22H37N3O4
Net Charge0
Average Mass407.555
Monoisotopic Mass407.27841
SMILESCNC[C@H]1OCCCC[C@H](C)Oc2ccc(N)cc2C(=O)N([C@H](C)CO)C[C@@H]1C
InChIInChI=1S/C22H37N3O4/c1-15-13-25(16(2)14-26)22(27)19-11-18(23)8-9-20(19)29-17(3)7-5-6-10-28-21(15)12-24-4/h8-9,11,15-17,21,24,26H,5-7,10,12-14,23H2,1-4H3/t15-,16+,17-,21+/m0/s1
InChIKeyXRGBJGDCXQTJDT-GRXQJBFDSA-N
ChEBI Ontology
Outgoing Relation(s)
(3S,9S,10S)-16-amino-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one (CHEBI:110916) is a azamacrocycle (CHEBI:52898)
(3S,9S,10S)-16-amino-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one (CHEBI:110916) is a lactam (CHEBI:24995)
Manual XrefsDatabases
LSM-22360LINCS