Cadaverine(2+)
PubChem CID: 3718401
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| Compound Synonyms | cadaverine(2+), 5-azaniumylpentylazanium, 1-BioDex, cadaverine (protonated), pentane-1,5-diaminium, pentane-1,5-bis(aminium), CHEBI:58384, Q27125746 |
|---|---|
| Topological Polar Surface Area | 55.3 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 7.0 |
| Description | Cadaverine is a foul-smelling diamine formed by bacterial decarboxylation of lysine that occurs during protein hydrolysis during putrefaction of animal tissue. However, this diamine is not purely associated with putrefaction. It is also produced in small quantities by mammals. In particular, it is partially responsible for the distinctive smell of urine and semen. Elevated levels of cadaverine have been found in the urine of some patients with defects in lysine metabolism. Cadaverine is toxic in large doses. In rats it had a low acute oral toxicity of more than 2000 mg/kg body weight ., Cadaverine is a foul-smelling molecule produced by protein hydrolysis during putrefaction of animal tissue. Cadaverine is a toxic diamine with the formula NH2(CH2)5NH2, which is similar to putrescine. Cadaverine is also known by the names 1,5-pentanediamine and pentamethylenediamine. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 25.3 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Enzyme Uniprot Id | P19623 |
| Iupac Name | 5-azaniumylpentylazanium |
| Prediction Hob | 1.0 |
| Class | Amines |
| Xlogp | -0.6 |
| Superclass | Organonitrogen compounds |
| Subclass | Primary amines |
| Molecular Formula | C5H16N2+2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VHRGRCVQAFMJIZ-UHFFFAOYSA-P |
| Fcsp3 | 1.0 |
| Rotatable Bond Count | 4.0 |
| State | Liquid |
| Synonyms | 1,5-Amylene diamine, 1,5-Diamino-n-pentane, 1,5-Diaminopentane, 1,5-Diaminopentane dihydrochloride, 1,5-Pentamethylenediamine, 1,5-Pentanediamine, Alpha,omega-pentanediamine, Animal conIIne, BioDex 1-, Cadaverin, Cadaverine dihydrochloride, DAPE, Diaminopentane, H2N(CH2)5NH2, Pentamethylenediamine, Pentamethylenediamine dihydrochloride, Pentane-1,5-diamine |
| Substituent Name | Hydrocarbon derivative, Primary aliphatic amine, Aliphatic acyclic compound |
| Compound Name | Cadaverine(2+) |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 104.131 |
| Formal Charge | 2.0 |
| Monoisotopic Mass | 104.131 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 104.19 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 0.14337860000000002 |
| Inchi | InChI=1S/C5H14N2/c6-4-2-1-3-5-7/h1-7H2/p+2 |
| Smiles | C(CC[NH3+])CC[NH3+] |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Glycine Max (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Lathyrus Sativus (Plant) Rel Props:Source_db:fooddb_chem_all - 3. Outgoing r'ship
FOUND_INto/from Pisum Sativum (Plant) Rel Props:Source_db:fooddb_chem_all - 4. Outgoing r'ship
FOUND_INto/from Solanum Tuberosum (Plant) Rel Props:Source_db:fooddb_chem_all - 5. Outgoing r'ship
FOUND_INto/from Zea Mays (Plant) Rel Props:Source_db:fooddb_chem_all