CHEBI:106806 - (3S,9R,10S)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-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,9R,10S)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one
ChEBI ID CHEBI:106806
Stars This entity has been manually annotated by a third party.
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Formula C27H47N3O4
Net Charge 0
Average Mass 477.681
Monoisotopic Mass 477.35666
InChI InChI=1S/C27H47N3O4/c1-8-14-29(7)18-26-20(2)17-30(21(3)19-31)27(32)24-16-23(28(5)6)12-13-25(24)34-22(4)11-9-10-15-33-26/h12-13,16,20-22,26,31H,8-11,14-15,17-19H2,1-7H3/t20-,21+,22-,26-/m0/s1
InChIKey KFCLPYACNRFGCM-MSZDEVHKSA-N
SMILES CCCN(C)C[C@H]1[C@H](CN(C(=O)C2=C(C=CC(=C2)N(C)C)O[C@H](CCCCO1)C)[C@H](C)CO)C
ChEBI Ontology
Outgoing (3S,9R,10S)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one (CHEBI:106806) is a azamacrocycle (CHEBI:52898)
(3S,9R,10S)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one (CHEBI:106806) is a lactam (CHEBI:24995)
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