EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:200311 - TMC-169

ChEBI IDCHEBI:200311
ChEBI NameTMC-169
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H35NO3
Net Charge0
Average Mass385.548
Monoisotopic Mass385.26169
SMILESCC1=C[C@@H]2/C=C(/C)CCCC(O)/C=C\C(=O)[C@]23C(=O)N[C@@H](CC(C)C)[C@@H]3[C@@H]1C
InChIInChI=1S/C24H35NO3/c1-14(2)11-20-22-17(5)16(4)13-18-12-15(3)7-6-8-19(26)9-10-21(27)24(18,22)23(28)25-20/h9-10,12-14,17-20,22,26H,6-8,11H2,1-5H3,(H,25,28)/b10-9-,15-12-/t17-,18+,19?,20+,22+,24-/m1/s1
InChIKeyPBMWGTZJDVBFGK-XSPGZUFDSA-N
Species of MetaboliteComponentSourceComments
Aspergillus flavipes (ncbitaxon:41900) - PubMed (10470683)
ChEBI Ontology
Outgoing Relation(s)
TMC-169 (CHEBI:200311) is a isoindoles (CHEBI:24897)
IUPAC Name 
(1S,3Z,9Z,11S,14S,15R,16S)-5-hydroxy-9,13,14-trimethyl-16-(2-methylpropyl)-17-azatricyclo[9.7.0.01,15]octadeca-3,9,12-triene-2,18-dione
Manual XrefsDatabases
58131208ChemSpider