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

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ChEBI Name 4-(3-methylbut-2-enyl)-L-abrine
ChEBI ID CHEBI:68464
ChEBI ASCII Name 4-(3-methylbut-2-enyl)-L-abrine
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C17H22N2O2
Net Charge 0
Average Mass 286.36880
Monoisotopic Mass 286.16813
InChI InChI=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
InChIKey QQMWUGXCTSAHLX-HNNXBMFYSA-N
SMILES CN[C@@H](Cc1c[nH]c2cccc(CC=C(C)C)c12)C(O)=O
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 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-abrine ChEBI
Manual Xref Database
CPD-12352 MetaCyc
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Last Modified
08 January 2015