Molecule

4-[(1E)-2-[(1,3-dicarboxypropyl)amino]ethenyl]-2,3-dihydropyridine-2,6-dicarboxylic acid

AlkaPlorer ID: AK319904

Synonym: None

IUPAC Name: (2S)-4-[2-[(1S)-1,3-dicarboxypropyl]iminoethylidene]-2,3-dihydro-1H-pyridine-2,6-dicarboxylic acid

Structure

SMILES: O=C(O)CC[C@H](N/C=C/C1=CC(C(=O)O)=N[C@H](C(=O)O)C1)C(=O)O

InChI: InChI=1S/C14H16N2O8/c17-11(18)2-1-8(12(19)20)15-4-3-7-5-9(13(21)22)16-10(6-7)14(23)24/h3-5,8,10,15H,1-2,6H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24)/b4-3+/t8-,10-/m0/s1

InChIKey: HWOAHVAPMFFSAN-PVXSWLFQSA-N

Reference

Identification of Betalains from Petioles of Differently Colored Swiss Chard (<i>Beta vulgaris</i> L. ssp. <i>cicla</i> [L.] Alef. Cv. Bright Lights) by High-Performance Liquid Chromatography−Electrospray Ionization Mass Spectrometry

LOTUS: LTS0032072

NPASS: NPC307729

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Beta vulgaris	Beta	Chenopodiaceae	Caryophyllales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Mirabilis jalapa	Mirabilis	Nyctaginaceae	Caryophyllales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Portulaca pilosa	Portulaca	Portulacaceae	Caryophyllales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 340.2880000000001

TPSA？: 173.58999999999995

MolLogP？: -0.2833999999999999

Number of H-Donors: 5

Number of H-Acceptors: 6

RingCount: 1

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi