(2S,3S,4S)-4-[(2Z,4E,6R)-6-carboxy-6-methylhexa-2,4-dien-2-yl]-3-(carboxymethyl)pyrrolidine-2-carboxylic acid



Compound number:
MolPort-003-932-997
CAS number: 14277-97-5; 144-55-8
IUPAC:
(2S,3S,4S)-4-[(2Z,4E,6R)-6-carboxy-6-methylhexa-2,4-dien-2-yl]-3-(carboxymethyl)pyrrolidine-2-carboxylic acid
IUPAC traditional:
domoic acid
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
InChI key:
VZFRNCSOCOPNDB-AOKDLOFSSA-N
Molecular formula:
C15H21NO6
Molecular weight: 311.334
Solubility: not available

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More Information

Compound Identifiers
Compound number: MolPort-003-932-997
CAS number: 14277-97-5; 144-55-8

Names, Synonyms and 3rd Party Identifiers
Name: ZINC000003995581
MFCD06795841
(2S,3S,4S)-2-carboxy-4-[(1Z,3E,5R)-5-carboxy-1-methyl-1,3-hexadien-1-yl]-3-pyrrolidineacetic 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
Domoic Acid
Sodium Bicarbonate

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
InChI key: VZFRNCSOCOPNDB-AOKDLOFSSA-N

Calculated Properties
Molecular formula: C15H21NO6
Molecular weight: 311.334

Scaffolds

Other

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