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CHEBI:212356 - 11-Carboxyl anatoxin A

ChEBI IDCHEBI:212356
ChEBI Name11-Carboxyl anatoxin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H17NO3
Net Charge0
Average Mass223.272
Monoisotopic Mass223.12084
SMILESO=C(O)CC(=O)C1=CCCC[C@@H]2CC[C@H]1N2
InChIInChI=1S/C12H17NO3/c14-11(7-12(15)16)9-4-2-1-3-8-5-6-10(9)13-8/h4,8,10,13H,1-3,5-7H2,(H,15,16)/t8-,10-/m1/s1
InChIKeyWYNQRSDHALABAA-PSASIEDQSA-N
Species of MetaboliteComponentSourceComments
Aphanizomenon (ncbitaxon:1175) - PubMed (17310714)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
11-Carboxyl anatoxin A (CHEBI:212356) is a oxo carboxylic acid (CHEBI:25754)
IUPAC Name 
3-[(1R,7R)-10-azabicyclo[5.2.1]dec-2-en-2-yl]-3-oxopropanoic acid