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CHEBI:136807 - α-allenylagmatine

ChEBI IDCHEBI:136807
ChEBI Nameα-allenylagmatine
Stars
ASCII Namealpha-allenylagmatine
DefinitionA member of the class of guanidines that is agmatine in which one of the methylene hydrogens adjacent to the primary amino group has been replaced by an allenyl group.
Last Modified16 January 2020
Submittermwilliams
DownloadsMolfile
FormulaC8H16N4
Net Charge0
Average Mass168.244
Monoisotopic Mass168.13750
SMILESC=C=CC(N)CCCNC(=N)N
InChIInChI=1S/C8H16N4/c1-2-4-7(9)5-3-6-12-8(10)11/h4,7H,1,3,5-6,9H2,(H4,10,11,12)
InChIKeyJCEZJHOHMHDSJO-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Brassica napus (ncbitaxon:3708)
- PubMed (27500669)
- MetaboLights (MTBLS312)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
Brassica napus metabolite  Any plant metabolite that is produced by rapeseed (Brassica napus).
EC 4.1.1.19 (arginine decarboxylase) inhibitor  An EC 4.1.1.* (carboxy-lyase) inhibitor that interferes with the action of arginine decarboxylase (EC 4.1.1.19).
ChEBI Ontology
Outgoing Relation(s)
α-allenylagmatine (CHEBI:136807) has functional parent agmatine (CHEBI:17431)
α-allenylagmatine (CHEBI:136807) has role Brassica napus metabolite (CHEBI:140165)
α-allenylagmatine (CHEBI:136807) has role EC 4.1.1.19 (arginine decarboxylase) inhibitor (CHEBI:65053)
α-allenylagmatine (CHEBI:136807) is a allenes (CHEBI:37602)
α-allenylagmatine (CHEBI:136807) is a guanidines (CHEBI:24436)
α-allenylagmatine (CHEBI:136807) is a primary amino compound (CHEBI:50994)
IUPAC Name 
N-(4-aminohepta-5,6-dien-1-yl)guanidine
Manual XrefsDatabases
CPD0-1659MetaCyc
Citations