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CHEBI:68464 - 4-(3-methylbut-2-enyl)-L-abrine

ChEBI IDCHEBI:68464
ChEBI Name4-(3-methylbut-2-enyl)-L-abrine
Stars
ASCII Name4-(3-methylbut-2-enyl)-L-abrine
DefinitionA methy-amino acid that is L-tryptophan substituted at the Nα-position by a methyl group and at the 4-position by a 3-methylbut-2-enyl group.
Last Modified8 January 2015
Submitternamrata
DownloadsMolfile
FormulaC17H22N2O2
Net Charge0
Average Mass286.375
Monoisotopic Mass286.16813
SMILESCN[C@@H](Cc1cnc2cccc(CC=C(C)C)c12)C(=O)O
InChIInChI=1S/C17H22N2O2/c1-11(2)7-8-12-5-4-6-14-16(12)13(10-19-14)9-15(18-3)17(20)21/h4-7,10,15,18-19H,8-9H2,1-3H3,(H,20,21)/t15-/m0/s1
InChIKeyQQMWUGXCTSAHLX-HNNXBMFYSA-N
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
4-(3-methylbut-2-enyl)-L-abrine (CHEBI:68464) is a N-methyl-L-α-amino acid (CHEBI:21752)
4-(3-methylbut-2-enyl)-L-abrine (CHEBI:68464) is a L-tryptophan derivative (CHEBI:47994)
4-(3-methylbut-2-enyl)-L-abrine (CHEBI:68464) is tautomer of 4-(3-methylbut-2-enyl)-L-abrine zwitterion (CHEBI:67248)
Incoming Relation(s)
4-(3-methylbut-2-enyl)-L-abrine zwitterion (CHEBI:67248) is tautomer of 4-(3-methylbut-2-enyl)-L-abrine (CHEBI:68464)
IUPAC Name 
N-methyl-4-(3-methylbut-2-en-1-yl)-L-tryptophan
Synonym  Source
4-dimethylallyl-L-abrineChEBI
Manual XrefsDatabases
CPD-12352MetaCyc