Histidine-
PubChem CID: 498056
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| Compound Synonyms | NSC50976, Histidine-, SCHEMBL2369302, 2-amino-3-(1H-imidazol-4-yl)propanoic acid, copper(3+) |
|---|---|
| Topological Polar Surface Area | 92.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 151.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-amino-3-(1H-imidazol-5-yl)propanoic acid, copper |
| Prediction Hob | 1.0 |
| Molecular Formula | C6H9CuN3O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | UXMNQKKPBFTHMU-UHFFFAOYSA-N |
| Fcsp3 | 0.3333333333333333 |
| Logs | -0.875 |
| Rotatable Bond Count | 3.0 |
| Logd | -1.514 |
| Compound Name | Histidine- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 217.999 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 217.999 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 218.7 |
| Covalent Unit Count | 2.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C6H9N3O2.Cu/c7-5(6(10)11)1-4-2-8-3-9-4, /h2-3,5H,1,7H2,(H,8,9)(H,10,11), |
| Smiles | C1=C(NC=N1)CC(C(=O)O)N.[Cu] |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Allium Sativum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Brassica Juncea (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Codonopsis Pilosula (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Ginkgo Biloba (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Sinapis Alba (Plant) Rel Props:Source_db:cmaup_ingredients