CHEBI:107011 - (3R,9S,10R)-16-amino-12-[(2S)-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 (3R,9S,10R)-16-amino-12-[(2S)-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:107011
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C22H37N3O4
Net Charge 0
Average Mass 407.548
Monoisotopic Mass 407.27841
InChI InChI=1S/C22H37N3O4/c1-15-13-25(16(2)14-26)22(27)19-11-18(23)8-9-20(19)29-17(3)7-5-6-10-28-21(15)12-24-4/h8-9,11,15-17,21,24,26H,5-7,10,12-14,23H2,1-4H3/t15-,16+,17-,21-/m1/s1
InChIKey XRGBJGDCXQTJDT-KYFSNAEOSA-N
SMILES C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)N)[C@@H](C)CO)C)CNC
ChEBI Ontology
Outgoing (3R,9S,10R)-16-amino-12-[(2S)-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:107011) is a azamacrocycle (CHEBI:52898)
(3R,9S,10R)-16-amino-12-[(2S)-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:107011) is a lactam (CHEBI:24995)
Manual Xref Database
LSM-18365 LINCS
View more database links