precursor
Showing entry for Arginine-betaxanthin
Identification
- PhytoHub ID
- PHUB000451
- Name
- Arginine-betaxanthin
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 367.362
- Monoisotopic Mass
- 367.149183416
- Chemical Formula
- C15H21N5O6
- IUPAC Name
- Not Available
- InChI Key
- YAQNIUGMDIKWBA-GOEHPVLMSA-N
- InChI Identifier
InChI=1S/C15H21N5O6/c16-15(17)19-4-1-2-9(12(21)22)18-5-3-8-6-10(13(23)24)20-11(7-8)14(25)26/h3,5-6,9,11,20H,1-2,4,7H2,(H,21,22)(H,23,24)(H,25,26)(H4,16,17,19)/b8-3-,18-5-/t9-,11-/m0/s1
- SMILES
[H][C@]1(C\C(=C/C=N\[C@@H](CCCNC(N)=N)C(O)=O)C=C(N1)C(O)=O)C(O)=O
- Structure
Calculated Properties
- Solubility (ALOGPS)
- Not Available
- LogS (ALOGPS)
- Not Available
- LogP (ALOGPS)
- Not Available
- Hydrogen Acceptors
- 11
- Hydrogen Donors
- 7
- Rotatable Bond Count
- 9
- Polar Surface Area
- 198.19
- Refractivity
- 101.7381
- Polarizability
- 36.07610106479839
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- 12.163512709099415
- pKa (strongest acidic)
- 1.4032021882463028
External Links
No external links
Taxonomy
- Family
- N-containing compounds
- Class
- Alkaloids
- Sub-class
- Betalains
Spectra
No spectra information available
Food Sources
Name | Group | |||
---|---|---|---|---|
Ulluco | Vegetables, Root vegetables | Publications | Show |
Metabolism
No metabolism information available