Gigartinine
PubChem CID: 192847
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| Compound Synonyms | Gigartinine, 7536-90-5, 5-(3-Amidinoureido)-2-aminovaleric acid, (2S)-2-amino-5-(diaminomethylidenecarbamoylamino)pentanoic acid, DTXSID40996812, N~5~-[Carbamimidamido(hydroxy)methylidene]ornithine, n5-[[(Aminoiminomethyl)amino]carbonyl]-L-ornithine |
|---|---|
| Topological Polar Surface Area | 157.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 261.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2S)-2-amino-5-(diaminomethylidenecarbamoylamino)pentanoic acid |
| Prediction Hob | 1.0 |
| Xlogp | -4.2 |
| Molecular Formula | C7H15N5O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XUQOUAIMZATHGP-BYPYZUCNSA-N |
| Fcsp3 | 0.5714285714285714 |
| Logs | -1.856 |
| Rotatable Bond Count | 5.0 |
| Logd | -1.886 |
| Compound Name | Gigartinine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 217.117 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 217.117 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 217.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 1.7006802 |
| Inchi | InChI=1S/C7H15N5O3/c8-4(5(13)14)2-1-3-11-7(15)12-6(9)10/h4H,1-3,8H2,(H,13,14)(H5,9,10,11,12,15)/t4-/m0/s1 |
| Smiles | C(C[C@@H](C(=O)O)N)CNC(=O)N=C(N)N |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Glabra (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Litchi Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Lobularia Maritima (Plant) Rel Props:Source_db:npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Piper Nigrum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Prosopis Juliflora (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all