CHEBI:104799 - (3S,9S,10S)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-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,10S)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one
ChEBI ID CHEBI:104799
Stars This entity has been manually annotated by a third party.
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Formula C24H41N3O4
Net Charge 0
Average Mass 435.601
Monoisotopic Mass 435.30971
InChI InChI=1S/C24H41N3O4/c1-17-15-27(18(2)16-28)24(29)21-13-20(26(5)6)10-11-22(21)31-19(3)9-7-8-12-30-23(17)14-25-4/h10-11,13,17-19,23,25,28H,7-9,12,14-16H2,1-6H3/t17-,18+,19-,23+/m0/s1
InChIKey AHFPIWRBAUHSCU-QPXQOZNCSA-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)CNC
ChEBI Ontology
Outgoing (3S,9S,10S)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one (CHEBI:104799) is a azamacrocycle (CHEBI:52898)
(3S,9S,10S)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one (CHEBI:104799) is a lactam (CHEBI:24995)
Manual Xref Database
LSM-16162 LINCS
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