precursor
Showing entry for Lysine-betaxanthin
Identification
- PhytoHub ID
- PHUB000452
- Name
- Lysine-betaxanthin
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 339.348
- Monoisotopic Mass
- 339.143035408
- Chemical Formula
- C15H21N3O6
- IUPAC Name
- (2S,4E)-4-[(2Z)-2-[(5-amino-1-carboxypentyl)imino]ethylidene]-2,3-dihydro-1H-pyridine-2,6-dicarboxylic acid
- InChI Key
- PXXNEQRBAYASTO-GTFOEFGDSA-N
- InChI Identifier
InChI=1S/C15H21N3O6/c16-5-2-1-3-10(13(19)20)17-6-4-9-7-11(14(21)22)18-12(8-9)15(23)24/h4,6-7,10,12,18H,1-3,5,8,16H2,(H,19,20)(H,21,22)(H,23,24)/b9-4-,17-6-/t10?,12-/m0/s1
- SMILES
[H][C@]1(C\C(=C/C=N\C(CCCCN)C(O)=O)C=C(N1)C(O)=O)C(O)=O
- Structure
Calculated Properties
- Solubility (ALOGPS)
- 1.56e-01 g/l
- LogS (ALOGPS)
- -3.34
- LogP (ALOGPS)
- -2.08
- Hydrogen Acceptors
- 9
- Hydrogen Donors
- 5
- Rotatable Bond Count
- 9
- Polar Surface Area
- 162.31
- Refractivity
- 85.6245
- Polarizability
- 34.06530606126845
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- 10.223469332717935
- pKa (strongest acidic)
- 1.5670818426609028
External Links
No external links
Taxonomy
- Family
- N-containing compounds
- Class
- Alkaloids
- Sub-class
- Betalains
Spectra
No spectra information available
Food Sources
No food source information available
Metabolism
No metabolism information available