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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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
ChEBI ID CHEBI:129034
Stars This entity has been manually annotated by a third party.
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Formula C31H53N3O4
Net Charge 0
Average Mass 531.771
Monoisotopic Mass 531.40361
InChI InChI=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
InChIKey ZLENGYFIORRHPU-ZASNTINBSA-N
SMILES C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)CC3CCCCC3
ChEBI Ontology
Outgoing (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 Xref Database
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