EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:188071 - Tirandamycin

ChEBI IDCHEBI:188071
ChEBI NameTirandamycin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H27NO7
Net Charge0
Average Mass417.458
Monoisotopic Mass417.17875
SMILES[H][C@]1([C@H](C)/C=C(C)/C=C/C(O)=C2/C(=O)CNC2=O)O[C@]2(C)O[C@@]([H])(C(=O)[C@]3([H])O[C@]23C)[C@@H]1C
InChIInChI=1S/C22H27NO7/c1-10(6-7-13(24)15-14(25)9-23-20(15)27)8-11(2)17-12(3)18-16(26)19-21(4,30-19)22(5,28-17)29-18/h6-8,11-12,17-19,24H,9H2,1-5H3,(H,23,27)/b7-6+,10-8+,15-13+/t11-,12-,17-,18-,19+,21+,22-/m1/s1
InChIKeyURGUBECARCAPRI-UYXUTHQNSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2224)
ChEBI Ontology
Outgoing Relation(s)
Tirandamycin (CHEBI:188071) is a oxacycle (CHEBI:38104)
IUPAC Name 
(3E)-3-[(2E,4E,6R)-1-hydroxy-4-methyl-6-[(1R,2S,4R,6R,7R,8R)-1,2,7-trimethyl-5-oxo-3,9,10-trioxatricyclo[4.3.1.02,4]decan-8-yl]hepta-2,4-dienylidene]pyrrolidine-2,4-dione
Manual XrefsDatabases
21256369ChemSpider
Registry NumbersSources
CAS:34429-70-4ChemIDplus