N~2~-{2-[(2-Amino-5-{[P-amino-P-(sulfoamino)phosphorimidoyl]amino}-1-hydroxypentylidene)amino]-1-hydroxypropylidene}arginine
PubChem CID: 5462396
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| Compound Synonyms | DTXSID40977823, Q27107667, N~2~-{2-[(2-Amino-5-{[P-amino-P-(sulfoamino)phosphorimidoyl]amino}-1-hydroxypentylidene)amino]-1-hydroxypropylidene}arginine |
|---|---|
| Topological Polar Surface Area | 323.0 |
| Hydrogen Bond Donor Count | 11.0 |
| Inchi Key | YHZJJCDLDGYDKK-GUBZILKMSA-N |
| Rotatable Bond Count | 16.0 |
| Synonyms | Phaseolotoxin a, Phaseotoxin |
| Heavy Atom Count | 33.0 |
| Compound Name | N~2~-{2-[(2-Amino-5-{[P-amino-P-(sulfoamino)phosphorimidoyl]amino}-1-hydroxypentylidene)amino]-1-hydroxypropylidene}arginine |
| Description | Phaseolotoxin is a member of the class of compounds known as oligopeptides. Oligopeptides are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds. Phaseolotoxin is practically insoluble (in water) and an extremely strong acidic compound (based on its pKa). Phaseolotoxin can be found in common bean, green bean, and yellow wax bean, which makes phaseolotoxin a potential biomarker for the consumption of these food products. |
| Exact Mass | 516.199 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 516.199 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 859.0 |
| Hydrogen Bond Acceptor Count | 13.0 |
| Molecular Weight | 516.5 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (2S)-2-[[(2S)-2-[[(2S)-2-amino-5-[[amino-(sulfoamino)phosphinimyl]amino]pentanoyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C14H33N10O7PS/c1-8(11(25)23-10(13(27)28)5-3-6-20-14(16)17)22-12(26)9(15)4-2-7-21-32(18,19)24-33(29,30)31/h8-10H,2-7,15H2,1H3,(H,22,26)(H,23,25)(H,27,28)(H4,16,17,20)(H,29,30,31)(H5,18,19,21,24)/t8-,9-,10-/m0/s1 |
| Smiles | C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CCCNP(=N)(N)NS(=O)(=O)O)N |
| Xlogp | -6.1 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C14H33N10O7PS |
- 1. Outgoing r'ship
FOUND_INto/from Phaseolus Vulgaris (Plant) Rel Props:Source_db:fooddb_chem_all