Domoic Acid

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Properties Simple | Detailed

Formula C15H21NO6
IUPAC Name (2s,3s,4s)-3-(carboxymethyl)-4-[(1z,3e,5r)-5-carboxy-1-methyl-hexa-1,3-dienyl]pyrrolidine-2-carboxylic acid
Molecular Mass 311.330 g·mol−1
Heat of Formation -1112.0 ± 16.7 kJ·mol−1
Dipole Moment 1.61 ± 1.08 D
Volume 380.32 Å 3
Surface Area 334.54 Å 2
HOMO Energy -9.35 ± 0.55 eV
LUMO Energy -0.37 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s,4s)-2-carboxy-4-[(1z,3e,5r)-5-carboxy-1-methyl-1,3-hexadienyl]-3-pyrrolidineacetic acid
  • (2s,3s,4s)-3-(carboxymethyl)-4-[(1z,3e,5r)-6-hydroxy-1,5-dimethyl-6-oxo-hexa-1,3-dienyl]pyrrolidine-2-carboxylic acid
  • (2s,3s,4s)-3-(carboxymethyl)-4-[(1z,3e,5r)-6-hydroxy-1,5-dimethyl-6-oxohexa-1,3-dienyl]-2-pyrrolidinecarboxylic acid
  • (2s,3s,4s)-3-(carboxymethyl)-4-[(1z,3e,5r)-6-hydroxy-6-keto-1,5-dimethyl-hexa-1,3-dienyl]proline
  • (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
  • (2s,3s,4s)-3-(carboxymethyl)-4-[(2z,4e,6r)-7-hydroxy-6-methyl-7-oxohepta-2,4-dien-2-yl]pyrrolidine-2-carboxylic acid
  • 25-[2alpha, 3beta, 4beta (1z, 3e, 5r)]-2-carboxy-4-(5-carboxy-1-methyl-1,3-hexadienyl)-3-pyrrolidineacetic acid
  • 3-pyrrolidineacetic acid, 2-carboxy-4-(5-carboxy-1-methyl-1,3-hexadienyl)-, (2s-(2-alpha,3-beta,4-beta(1z,3e,5s*)))-
  • domoic acid, <i>mytilus edulis
  • doq
  • l-domoic acid
InChIKey VZFRNCSOCOPNDB-AOKDLOFSSA-N
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