Metabolomics Structure Database
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MW REGNO: | 70554 |
Common Name: | Domoic acid |
Systematic Name: | (2S,3S,4S)-3-(carboxymethyl)-4-[(1Z,3E,5R)-5-carboxy-1-methyl-hexa-1,3-dienyl]pyrrolidine-2-carboxylic acid |
RefMet Name: | Domoic acid |
Synonyms: | L-Domoic acid; Domoic Acid, Mytilus edulis; HSDB 7242; NSC 288031; BRN 5768789 [PubChem Synonyms] |
Exact Mass: | |
Formula: | C15H21NO6 |
InChIKey: | VZFRNCSOCOPNDB-AOKDLOFSSA-N |
ClassyFire superclass: | Organic acids and derivatives [C0000264] |
ClassyFire class: | Carboxylic acids and derivatives [C0000265] |
ClassyFire subclass: | Amino acids, peptides, and analogues [C0000013] |
ClassyFire direct parent: | Kainoids [C0001801] |
SMILES: | C/C(=C/C=C/[C@@H](C)C(=O)O)/[C@H]1CN[C@@H]([C@H]1CC(=O)O)C(=O)O |
Studies: | Available studies (via RefMet name) |
Select appropriate tab below to view additional details:
External database links:
PubChem CID: | 5282253 |
HMDB ID: | HMDB0033939 |
KEGG ID: | C13732 |
Marine Natural Products DB: | CMNPD2659 |
Plant Metabolite Hub(Pmhub): | MS000023330 |
References
LIPID MAPS classification: "Update of the LIPID MAPS comprehensive classification system for lipids", Fahy E, Subramaniam S, Murphy RC, Nishijima M, Raetz CR, Shimizu T, Spener F, van Meer G, Wakelam MJ, and Dennis EA, J. Lipid Res. (2009) 50: S9-S14. DOI: 10.1194/jlr.R800095-JLR200 ClassyFire classification: "ClassyFire: automated chemical classification with a comprehensive, computable taxonomy", Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS, J. Cheminformatics (2016) 8:61. DOI: 10.1186/s13321-016-0174-y