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CHEBI:136292 - hypoglycin B

ChEBI IDCHEBI:136292
ChEBI Namehypoglycin B
Stars
DefinitionA diastereoisometic mixture containing (2S,4R)- and (2S,4S)-hypoglycin B. A metabolite of hypoglycin A found in unripe ackee fruit.
Last Modified28 February 2017
SubmitterGareth Owen
DownloadsMolfile
FormulaC12H18N2O5
Net Charge0
Average Mass270.285
Monoisotopic Mass270.12157
SMILES[H]C1(C[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)O)CC1=C
InChIInChI=1S/C12H18N2O5/c1-6-4-7(6)5-9(12(18)19)14-10(15)3-2-8(13)11(16)17/h7-9H,1-5,13H2,(H,14,15)(H,16,17)(H,18,19)/t7?,8-,9-/m0/s1
InChIKeyUYDZYCPIQSRXKU-NPPUSCPJSA-N
Species of MetaboliteComponentSourceComments
Blighia sapida (ncbitaxon:259381) fruit (BTO:0000486) PubMed (19653254)
Roles Classification
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)
hypoglycin B (CHEBI:136292) has part (2S,4R)-hypoglycin B (CHEBI:136293)
hypoglycin B (CHEBI:136292) has part (2S,4S)-hypoglycin B (CHEBI:6332)
hypoglycin B (CHEBI:136292) has role phytotoxin (CHEBI:38231)
hypoglycin B (CHEBI:136292) has role plant metabolite (CHEBI:76924)
hypoglycin B (CHEBI:136292) is a diastereoisomeric mixture (CHEBI:60915)
Synonym  Source
L-γ-glutamyl-L-hypoglycinChEBI
Registry NumbersSources
Reaxys:3162184Reaxys
CAS:502-37-4ChemIDplus
Citations