CHEBI:134622 - hypoglycin A

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ChEBI Name hypoglycin A ChEBI ID CHEBI:134622 Definition A 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). Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C7H11NO2 Net Charge 0 Average Mass 141.168 Monoisotopic Mass 141.07898 InChI InChI=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 InChIKey OOJZCXFXPZGUBJ-GDVGLLTNSA-N SMILES C1(C(=C)C1)(C[C@@H](C(O)=O)N)[H] Metabolite of Species Details Blighia sapida (NCBI:txid259381) Found in fruit (BTO:0000486). See: PubMed Acer negundo (NCBI:txid4023) Found in seed (BTO:0001226). See: PubMed Acer pseudoplatanus (NCBI:txid4026) Found in seed (BTO:0001226). See: PubMed Roles Classification Biological Role(s): phytotoxin Any toxin produced by a plant. View more via ChEBI Ontology ChEBI Ontology Outgoing 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 Xrefs Databases CPD-9699 MetaCyc HMDB0029427 HMDB View more database links Citations Types Sources 12180690 PubMed citation Europe PMC 2183231 PubMed citation Europe PMC 24863395 PubMed citation Europe PMC 25531872 PubMed citation Europe PMC 26094208 PubMed citation Europe PMC 26278545 PubMed citation Europe PMC 26378918 PubMed citation Europe PMC 26593855 PubMed citation Europe PMC 26965229 PubMed citation Europe PMC 26995161 PubMed citation Europe PMC 27433981 PubMed citation Europe PMC 28153514 PubMed citation Europe PMC IND44696471 Agricola citation Europe PMC IND92058057 Agricola citation Europe PMC Last Modified 28 February 2017

General Comment 2017-02-28 For studies on the diastereoisomeric ratios, see J. Org. Chem., 1987, v52, 1475 and J. Am. Chem. Soc., 1990, v112, 2021.