N-[(3S,9R,10S)-9-[(dimethylamino)methyl]-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-16-yl]cyclohexanecarboxamide (CHEBI:103709)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:103709 - N-[(3S,9R,10S)-9-[(dimethylamino)methyl]-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-16-yl]cyclohexanecarboxamide

Take structure to advanced search

ChEBI ID	CHEBI:103709
ChEBI Name	N-[(3S,9R,10S)-9-[(dimethylamino)methyl]-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-16-yl]cyclohexanecarboxamide
Stars
Downloads	Molfile

Formula	C30H49N3O5
Net Charge	0
Average Mass	531.738
Monoisotopic Mass	531.36722
SMILES	C[C@H](CO)N1C[C@H](C)[C@H](CN(C)C)OCCCC[C@H](C)Oc2ccc(NC(=O)C3CCCCC3)cc2C1=O
InChI	InChI=1S/C30H49N3O5/c1-21-18-33(22(2)20-34)30(36)26-17-25(31-29(35)24-12-7-6-8-13-24)14-15-27(26)38-23(3)11-9-10-16-37-28(21)19-32(4)5/h14-15,17,21-24,28,34H,6-13,16,18-20H2,1-5H3,(H,31,35)/t21-,22+,23-,28-/m0/s1
InChIKey	VTJNXDUZLOWMHH-KYALDGGBSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(3S,9R,10S)-9-[(dimethylamino)methyl]-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-16-yl]cyclohexanecarboxamide (CHEBI:103709) is a azamacrocycle (CHEBI:52898)
	N-[(3S,9R,10S)-9-[(dimethylamino)methyl]-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-16-yl]cyclohexanecarboxamide (CHEBI:103709) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-15053	LINCS