EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:129034 - (3S,9S,10R)-9-[[cyclohexylmethyl(methyl)amino]methyl]-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one

ChEBI IDCHEBI:129034
ChEBI Name(3S,9S,10R)-9-[[cyclohexylmethyl(methyl)amino]methyl]-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one
Stars
DownloadsMolfile
FormulaC31H53N3O4
Net Charge0
Average Mass531.782
Monoisotopic Mass531.40361
SMILESC[C@@H]1CN([C@H](C)CO)C(=O)c2cc(N(C)C)ccc2O[C@@H](C)CCCCO[C@@H]1CN(C)CC1CCCCC1
InChIInChI=1S/C31H53N3O4/c1-23-19-34(24(2)22-35)31(36)28-18-27(32(4)5)15-16-29(28)38-25(3)12-10-11-17-37-30(23)21-33(6)20-26-13-8-7-9-14-26/h15-16,18,23-26,30,35H,7-14,17,19-22H2,1-6H3/t23-,24-,25+,30-/m1/s1
InChIKeyZLENGYFIORRHPU-ZASNTINBSA-N
ChEBI Ontology
Outgoing Relation(s)
(3S,9S,10R)-9-[[cyclohexylmethyl(methyl)amino]methyl]-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one (CHEBI:129034) is a azamacrocycle (CHEBI:52898)
(3S,9S,10R)-9-[[cyclohexylmethyl(methyl)amino]methyl]-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one (CHEBI:129034) is a lactam (CHEBI:24995)
Manual XrefsDatabases
LSM-40586LINCS