N-[[(3S,9S,10S)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylcyclohexanecarboxamide (CHEBI:110987)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:110987 - N-[[(3S,9S,10S)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylcyclohexanecarboxamide

Take structure to advanced search

ChEBI ID	CHEBI:110987
ChEBI Name	N-[[(3S,9S,10S)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylcyclohexanecarboxamide
Stars
Downloads	Molfile

Formula	C31H51N3O5
Net Charge	0
Average Mass	545.765
Monoisotopic Mass	545.38287
SMILES	C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)C2CCCCC2)OCCCC[C@H](C)Oc2ccc(N(C)C)cc2C1=O
InChI	InChI=1S/C31H51N3O5/c1-22-19-34(23(2)21-35)31(37)27-18-26(32(4)5)15-16-28(27)39-24(3)12-10-11-17-38-29(22)20-33(6)30(36)25-13-8-7-9-14-25/h15-16,18,22-25,29,35H,7-14,17,19-21H2,1-6H3/t22-,23+,24-,29+/m0/s1
InChIKey	QUSLWNNTNFDPAB-HNFJUSDZSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[[(3S,9S,10S)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylcyclohexanecarboxamide (CHEBI:110987) is a azamacrocycle (CHEBI:52898)
	N-[[(3S,9S,10S)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylcyclohexanecarboxamide (CHEBI:110987) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-22431	LINCS