EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:128974 - (8S,9S)-9-[[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]methyl]-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-5-one

ChEBI IDCHEBI:128974
ChEBI Name(8S,9S)-9-[[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]methyl]-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-5-one
Stars
DownloadsMolfile
FormulaC25H37N5O5
Net Charge0
Average Mass487.601
Monoisotopic Mass487.27947
SMILESC[C@H]1CN([C@@H](C)CO)C(=O)CCCn2nncc2CO[C@@H]1CN(C)Cc1ccc2c(c1)OCCO2
InChIInChI=1S/C25H37N5O5/c1-18-13-29(19(2)16-31)25(32)5-4-8-30-21(12-26-27-30)17-35-24(18)15-28(3)14-20-6-7-22-23(11-20)34-10-9-33-22/h6-7,11-12,18-19,24,31H,4-5,8-10,13-17H2,1-3H3/t18-,19-,24+/m0/s1
InChIKeyKKGFASYBCNAVFA-AXHZCLLHSA-N
ChEBI Ontology
Outgoing Relation(s)
(8S,9S)-9-[[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]methyl]-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-5-one (CHEBI:128974) is a azamacrocycle (CHEBI:52898)
(8S,9S)-9-[[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]methyl]-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-5-one (CHEBI:128974) is a lactam (CHEBI:24995)
Manual XrefsDatabases
LSM-40526LINCS