EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:40590 - N-[7-METHYL-OCT-2,4-DIENOYL]ASPARAGINE

Default Structure
ChEBI IDCHEBI:40590
ChEBI NameN-[7-METHYL-OCT-2,4-DIENOYL]ASPARAGINE
Stars
DownloadsMolfile
FormulaC13H20N2O4
Net Charge0
Average Mass268.313
Monoisotopic Mass268.14231
SMILES[H]OC(=O)[C@@]([H])(N([H])C(=O)/C([H])=C([H])\C([H])=C(/[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C(=O)N([H])[H]
InChIInChI=1S/C13H20N2O4/c1-9(2)6-4-3-5-7-12(17)15-10(13(18)19)8-11(14)16/h3-5,7,9-10H,6,8H2,1-2H3,(H2,14,16)(H,15,17)(H,18,19)/b4-3+,7-5-/t10-/m0/s1
InChIKeyMLCJPQMSSCXLNC-IIIRDDERSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[7-METHYL-OCT-2,4-DIENOYL]ASPARAGINE (CHEBI:40590) is a unclassifieds (CHEBI:27189)
Synonyms  Source
N~2~-[(2Z,4E)-7-methylocta-2,4-dienoyl]-L-asparaginePDBeChem
N-[7-METHYL-OCT-2,4-DIENOYL]ASPARAGINEPDBeChem
Manual XrefsDatabases
AFAPDBeChem