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CHEBI:136293 - (2S,4R)-hypoglycin B

ChEBI IDCHEBI:136293
ChEBI Name(2S,4R)-hypoglycin B
Stars
ASCII Name(2S,4R)-hypoglycin B
DefinitionA 5-L-glutamyl amino acid resulting from the formal condensation of the amino group of (2S,4R)-hypoglycin A with the γ-carboxy group of L-glutamic acid.
Last Modified28 February 2017
SubmitterGareth Owen
DownloadsMolfile
FormulaC12H18N2O5
Net Charge0
Average Mass270.285
Monoisotopic Mass270.12157
SMILESC=C1C[C@@H]1C[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)O
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+/m1/s1
InChIKeyUYDZYCPIQSRXKU-VGMNWLOBSA-N
Species of MetaboliteComponentSourceComments
Blighia sapida (ncbitaxon:259381) fruit (BTO:0000486) PubMed (19653254)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
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,4R)-hypoglycin B (CHEBI:136293) has functional parent (2S,4R)-hypoglycin A (CHEBI:134620)
(2S,4R)-hypoglycin B (CHEBI:136293) has role phytotoxin (CHEBI:38231)
(2S,4R)-hypoglycin B (CHEBI:136293) has role plant metabolite (CHEBI:76924)
(2S,4R)-hypoglycin B (CHEBI:136293) is a 5-L-glutamyl amino acid (CHEBI:15857)
(2S,4R)-hypoglycin B (CHEBI:136293) is a cyclopropanes (CHEBI:51454)
(2S,4R)-hypoglycin B (CHEBI:136293) is a olefinic compound (CHEBI:78840)
Incoming Relation(s)
hypoglycin B (CHEBI:136292) has part (2S,4R)-hypoglycin B (CHEBI:136293)
IUPAC Name 
L-γ-glutamyl-3-[(1R)-2-methylenecyclopropyl]-L-alanine
Registry NumbersSources
Reaxys:20294330Reaxys