Compound Summary
domoic acid
Compound Information
domoic acid
Compound Name: | domoic acid |
Compound CID: | 5282253 |
Synonyms: | domoic acid L-Domoic acid 14277-97-5 NSC 288031 HSDB 7242 More... |
Iupac Name: | (2S,3S,4S)-4-[(2Z,4E,6R)-6-carboxyhepta-2,4-dien-2-yl]-3-(carboxymethyl)pyrrolidine-2-carboxylic acid |
InChI: | InChI=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 |
InChIKey: | VZFRNCSOCOPNDB-AOKDLOFSSA-N |
Canonical Smiles: | CC(C=CC=C(C)C1CNC(C1CC(=O)O)C(=O)O)C(=O)O |
Isomeric Smiles: | C[C@H](/C=C/C=C(/C)\[C@H]1CN[C@@H]([C@H]1CC(=O)O)C(=O)O)C(=O)O |
Molecular Weight: | 311.33 |
Molecular Formula: | C15H21NO6 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
domoic acid
Molecular Weight: | 311.33 |
Molecular Formula: | C15H21NO6 |
Hydrogen Bond Donor Count: | 4 |
Hydrogen Bond Acceptor Count: | 7 |
Rotatable Bond Count: | 7 |
Heavy Atom Count: | 22 |
Complexity: | 510 |
Synonyms
domoic acid
| domoic acid | domoic acid |
|---|---|
domoic acid |
L-Domoic acid |
14277-97-5 |
NSC 288031 |
HSDB 7242 |
domoate |
Domoic Acid, Mytilus edulis |
BRN 5768789 |
UNII-M02525818H |
CHEBI:34727 |
MFCD06795841 |
M02525818H |
(2S,3S,4S)-4-((R,2Z,4E)-6-carboxyhepta-2,4-dien-2-yl)-3-(carboxymethyl)pyrrolidine-2-carboxylic acid |
3-Pyrrolidineacetic acid, 2-carboxy-4-(1Z,3E,5R)-5-carboxy-1-methyl-1,3-hexadienyl-, (2S,3S,4S)- |
(3S,4S)-4-(2Z,4E,6R)-6-carboxyhepta-2,4-dien-2-yl-3-(carboxymethyl)-L-proline |
(2S,3S,4S)-2-CARBOXY-4-(1Z,3E,5R)-5-CARBOXY-1-METHYL-1,3-HEXADIENYL-3-PYRROLIDINEACETIC ACID |
3-Pyrrolidineacetic acid, 2-carboxy-4-((1Z,3E,5R)-5-carboxy-1-methyl-1,3-hexadienyl)-, (2S,3S,4S)- |
MLS000517259 |
SCHEMBL387531 |
GTPL4181 |
CHEMBL1232313 |
DTXSID20274180 |
Domoic acid, >=90% (HPLC) |
HMS2268I07 |
HMS3266E11 |
HY-N2310 |
ZINC3995581 |
AKOS024457240 |
AT27001 |
CCG-208195 |
DB02852 |
NCGC00024520-02 |
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*)))- |
SMR000127427 |
B6241 |
CS-0020465 |
X6864 |
M02718 |
Q424386 |
SR-01000597723 |
J-007696 |
SR-01000597723-1 |
BRD-K52217427-001-02-3 |
Domoic acid solution, 332 muM in acetonitrile: water (1:19 (v/v)) |
(2S,3S,4R,5R)-2-Carboxy-4-(5-carboxy-1-methyl-1Z,3E-hexadienyl)-3-pyrrolidineacetic acid |
(2S,3S,4S)-3-(carboxymethyl)-4-(1Z,3E,5R)-5-carboxy-1-methyl-hexa-1,3-dienylpyrrolidine-2-carboxylic acid |
(2S,3S,4S)-4-(2Z,4E,6R)-6-carboxy-6-methylhexa-2,4-dien-2-yl-3-(carboxymethyl)pyrrolidine-2-carboxylic acid |
(2S,3S,4S)-4-(2Z,4E,6R)-6-carboxyhepta-2,4-dien-2-yl-3-(carboxymethyl)pyrrolidine-2-carboxylic acid |
(3S,4S)-3-(carboxymethyl)-4-(1Z,3E,5R)-5-carboxy-1-methylhexa-1,3-dien-1-yl-L-proline |
Experimental Data
domoic acid
| Species | Dose | Unit | Control(Avg days) | Treatment(Avg days) | Avg/Med Lifespan Change(%) | Control(Max days) | Treatment(Max days) | Max Lifespan Change(%) | Significant | Strain | Gender | PubMed | Avg/Med Lifespan Change tab |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Caenorhabditis elegans | 0.500000000000000 | mg/mL | Unclear | N2 | 33683565 | ||||||||
| Caenorhabditis elegans | 2.000000000000000 | mg/mL | Unclear | N2 | 33683565 | ||||||||
| Caenorhabditis elegans | 4.000000000000000 | mg/mL | 30.000000000000000 | S | N2 | 33683565 | Active |
Experimental Data Visualization
domoic acid
Statistics Data
domoic acid
| Species | Avg/Med Lifespan Change(%) | Max Lifespan Change(%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 30.000000000000000 | 1 | 3 |
Statistics Data Visualization
domoic acid
