domoic acid
AlkaPlorer ID: AK005817
Synonym: '133005-87-5', '14277-97-5', 'SMR000127427', 'L-domoic acid', 'MLSMR', '(-)-Domoic acid', 'Domoic acid', '133005-85-3', 'L-Domoic acid', 'MLS000517259', '101977-26-8'
IUPAC Name: (2S,3S,4S)-4-[(2E,4Z,6R)-6-carboxyhepta-2,4-dien-2-yl]-3-(carboxymethyl)pyrrolidine-2-carboxylic acid
Structure
SMILES: C/C(=C\C=C/[C@@H](C)C(=O)O)[C@H]1CN[C@H](C(=O)O)[C@H]1CC(=O)O
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-LNVQSPMDSA-N
Reference
Two new isomers of domoic acid from a red alga, Chondria armata
PubChem CID: 101790920
LOTUS: LTS0034532
SuperNatural Ⅲ: SN0404098-14
NPASS: NPC242428
Source
Properties Information
Molecule Weight: 311.3340000000001
TPSA？: 123.93000000000002
MolLogP？: 0.9730999999999996
Number of H-Donors: 4
Number of H-Acceptors: 4
RingCount: 1
Activities Information
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