CHEBI:6248 - (2S,4S)-hypoglycin A

ChEBI IDCHEBI:6248
ChEBI Name(2S,4S)-hypoglycin A
Stars
ASCII Name(2S,4S)-hypoglycin A
DefinitionA 2-amino-3-(2-methylenecyclopropyl)propanoic acid that has L configuration at the amino-bearing carbon and S configuration at the methylenecylopropyl centre.
Last Modified28 February 2017
DownloadsMolfile
FormulaC7H11NO2
Net Charge0
Average Mass141.170
Monoisotopic Mass141.07898
SMILES[H][C@@]1(C[C@H](N)C(=O)O)CC1=C
InChIInChI=1S/C7H11NO2/c1-4-2-5(4)3-6(8)7(9)10/h5-6H,1-3,8H2,(H,9,10)/t5-,6-/m0/s1
InChIKeyOOJZCXFXPZGUBJ-WDSKDSINSA-N
Species of MetaboliteComponentSourceComments
Blighia sapida (ncbitaxon:259381) fruit (BTO:0000486) PubMed (19653254f)
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).
Biological Roles:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
phytotoxin  Any toxin produced by a plant.
ChEBI Ontology
Outgoing Relation(s)
(2S,4S)-hypoglycin A (CHEBI:6248) has role phytotoxin (CHEBI:38231)
(2S,4S)-hypoglycin A (CHEBI:6248) has role plant metabolite (CHEBI:76924)
(2S,4S)-hypoglycin A (CHEBI:6248) is a 2-amino-3-(2-methylenecyclopropyl)propanoic acid (CHEBI:136270)
(2S,4S)-hypoglycin A (CHEBI:6248) is a non-proteinogenic L-α-amino acid (CHEBI:83822)
Incoming Relation(s)
(2S,4S)-hypoglycin B (CHEBI:6332) has functional parent (2S,4S)-hypoglycin A (CHEBI:6248)
hypoglycin A (CHEBI:134622) has part (2S,4S)-hypoglycin A (CHEBI:6248)
IUPAC Name 
3-[(1S)-2-methylenecyclopropyl]-L-alanine
Synonyms  Source
L-HypoglycinKEGG COMPOUND
(+)-hypoglycin AChEBI
Manual XrefsDatabases
C08287KEGG COMPOUND
C00001372KNApSAcK
Registry NumbersSources
Reaxys:2936735Reaxys
CAS:156-56-9KEGG COMPOUND