EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:134622 - hypoglycin A

ChEBI IDCHEBI:134622
ChEBI Namehypoglycin A
Stars
DefinitionA diastereoisomeric mixture of (2S,4R)- and (2S,4S)- hypoglycin A, found in the edible part of the fruit of the Ackee, Blighia sapida (where the 2S,4R diastereoisomer is more dominant (17% d.e.) than its 2S,4S counterpart) as well as in the sycamore maple tree (Acer pseudoplatanus).
Last Modified28 February 2017
SubmitterGareth Owen
DownloadsMolfile
FormulaC7H11NO2
Net Charge0
Average Mass141.170
Monoisotopic Mass141.07898
SMILES[H]C1(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-GDVGLLTNSA-N
Species of MetaboliteComponentSourceComments
Blighia sapida (ncbitaxon:259381) fruit (BTO:0000486) PubMed (19653254f)
Acer pseudoplatanus (ncbitaxon:4026) seed (BTO:0001226) PubMed (26995161)
Acer negundo (ncbitaxon:4023) seed (BTO:0001226) PubMed (26593855)
Roles Classification
Biological Role:
phytotoxin  Any toxin produced by a plant.
ChEBI Ontology
Outgoing Relation(s)
hypoglycin A (CHEBI:134622) has part (2S,4R)-hypoglycin A (CHEBI:134620)
hypoglycin A (CHEBI:134622) has part (2S,4S)-hypoglycin A (CHEBI:6248)
hypoglycin A (CHEBI:134622) has role phytotoxin (CHEBI:38231)
hypoglycin A (CHEBI:134622) is a diastereoisomeric mixture (CHEBI:60915)
Manual XrefsDatabases
CPD-9699MetaCyc
HMDB0029427HMDB
Citations