Chemical Component Summary

Name(2S,3S,4S)-2-CARBOXY-4-[(1Z,3E,5R)-5-CARBOXY-1-METHYL-1,3-HEXADIENYL]-3-PYRROLIDINEACETIC ACID
Synonyms(2S,3S,4S)-3-CARBOXYMETHYL-4-[(1Z,3E,5R)-5-CARBOXY-1-METHYL-HEXA-1,3-DIENYL]-PYRROLIDINE-2-CARBOXYLIC ACID; DOMOIC ACID
Identifiers(2S,3S,4S)-3-(carboxymethyl)-4-[(2Z,4E,6R)-7-hydroxy-6-methyl-7-oxo-hepta-2,4-dien-2-yl]pyrrolidine-2-carboxylic acid
FormulaC15 H21 N O6
Molecular Weight311.33
TypeNON-POLYMER
Isomeric SMILESC[C@H](\C=C\C=C(\C)/[C@H]1CN[C@@H]([C@H]1CC(=O)O)C(=O)O)C(=O)O
InChIInChI=1S/C15H21NO6/c1-8(4-3-5-9(2)14(19)20)11-7-16-13(15(21)22)10(11)6-12(17)18/h3-5,9-11,13,16H,6-7H2,1-2H3,(H,17,18)(H,19,20)(H,21,22)/b5-3+,8-4-/t9-,10+,11-,13+/m1/s1
InChIKeyVZFRNCSOCOPNDB-AOKDLOFSSA-N

Chemical Details

Formal Charge0
Atom Count43
Chiral Atom Count4
Bond Count43
Aromatic Bond Count0

Drug Info: DrugBank

DrugBank IDDB02852 
NameDomoic Acid
Groups experimental
Synonyms
  • (-)-domoic acid
  • Domoic Acid
  • L-domoic acid
Categories
  • Central Nervous System Depressants
  • Neuromuscular Agents
  • Neurotoxins
  • Peripheral Nervous System Agents
  • Pyrrolidines
CAS number14277-97-5

Drug Targets

NameTarget SequencePharmacological ActionActions
Glutamate receptor ionotropic, kainate 2MKIIFPILSNPVFRRTVKLLLCLLWIGYSQGTTHVLRFGGIFEYVESGPM...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 5282253
ChEMBL CHEMBL1232313
ChEBI CHEBI:34727