Isodomoic acid A; Δ1',1''-Isomer
AlkaPlorer ID: AK302882
Synonym: Isodomoic acid C
IUPAC Name: 4-[(5E)-6-carboxyhepta-1,5-dien-2-yl]-3-(carboxymethyl)pyrrolidine-2-carboxylic acid
Structure
SMILES: C=C(CC/C=C(\C)C(=O)O)C1CNC(C(=O)O)C1CC(=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/h5,10-11,13,16H,1,3-4,6-7H2,2H3,(H,17,18)(H,19,20)(H,21,22)/b9-5+
InChIKey: OKFIHTSZDXUGQB-WEVVVXLNSA-N
Reference
CAS: 101899-45-0
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Pseudonitzschia | Capsalidae | Capsalidea | Monogenea | Platyhelminthes | Metazoa | Eukaryota |
| Chondria armata | Chondria | Rhodomelaceae | Ceramiales | Florideophyceae | Rhodophyta | None | Eukaryota |
Properties Information
Molecule Weight: 311.33400000000006
TPSA？: 123.93000000000002
MolLogP？: 1.1171999999999995
Number of H-Donors: 4
Number of H-Acceptors: 4
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|