EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:213408 - Fischerellin A

ChEBI IDCHEBI:213408
ChEBI NameFischerellin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H36N2O2
Net Charge0
Average Mass408.586
Monoisotopic Mass408.27768
SMILESCCCCCC#CC#C/C=C/CC(C)C[C@H]1C[C@@H](C)C(C2=C(O)C(C)N(C)C2=O)=N1
InChIInChI=1S/C26H36N2O2/c1-6-7-8-9-10-11-12-13-14-15-16-19(2)17-22-18-20(3)24(27-22)23-25(29)21(4)28(5)26(23)30/h14-15,19-22,29H,6-9,16-18H2,1-5H3/b15-14+/t19?,20-,21?,22+/m1/s1
InChIKeyZZLORXCOISZFNX-FNTLVUBCSA-N
Species of MetaboliteComponentSourceComments
Fischerella muscicola (ncbitaxon:92938) - DOI (10.1016/0040-4039(96)01445-1)
ChEBI Ontology
Outgoing Relation(s)
Fischerellin A (CHEBI:213408) is a pyrroline (CHEBI:23763)
IUPAC Name 
3-hydroxy-1,2-dimethyl-4-[(2S,4R)-4-methyl-2-[(E)-2-methyltetradec-4-en-6,8-diynyl]-3,4-dihydro-2H-pyrrol-5-yl]-2H-pyrrol-5-one
Manual XrefsDatabases
78438036ChemSpider