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
MOLSDFPDBSMILESInChI

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
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Taxonomy

Family
N-containing compounds
Class
Alkaloids
Sub-class
Betalains

Spectra

No spectra information available

Food Sources

NameGroup
UllucoVegetables, Root vegetables PublicationsShow

Metabolism

No metabolism information available

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