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Putrescine

PubChem CID: 1045

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Compound Synonyms 1,4-diaminobutane, putrescine, 1,4-butanediamine, 110-60-1, butane-1,4-diamine, tetramethylenediamine, Butylenediamine, Putrescin, 1,4-Butylenediamine, Tetramethyldiamine, 1,4-Tetramethylenediamine, putrescina, Putreszin, Tetramethylendiamin, NSC 60545, CCRIS 6751, H2N(CH2)4NH2, 1,4-Diamino-n-butane, BRN 0605282, AI3-25444, EINECS 203-782-3, UNII-V10TVZ52E4, MFCD00008235, NSC-60545, 1,4-butane diamine, V10TVZ52E4, CHEBI:17148, HSDB 7865, PUTRESCINE [MI], Putrescine, NSC 60545, Putramine, BUTANE,1,4-DIAMINO, CHEMBL46257, BUTANE, 1,4-DIAMINO-, DTXSID4041107, EC 203-782-3, PUT, 1,4 Butanediamine, 1,4 Diaminobutane, butylene amine, 1,4butanediamine, 1,4diaminobutane, Butane1,4diamine, tetramethylendiamine, 1,4butylenediamine, 4-amino-butyl-amine, tetramethylene diamine, 1,4 diamino butane, 1,4-diamino butane, Putrescine, free base, Spectrum_001646, 1i7c, 1i7m, 1,4Tetramethylenediamine, Spectrum2_001935, Spectrum3_001198, Spectrum4_000237, Spectrum5_001005, Lopac-P-7505, bmse000109, bmse000814, bmse000862, 1,4-tetramethylene diamine, 1,4-Diaminobutane, 99%, Lopac0_000972, BSPBio_002875, KBioGR_000933, KBioSS_002126, DivK1c_000716, SPBio_001969, .alpha.,.omega.-Butanediamine, Putrescine, analytical standard, GTPL2388, DTXCID2021107, KBio1_000716, KBio2_002126, KBio2_004694, KBio2_007262, KBio3_002375, 1a99, NINDS_000716, HY-N2407, NSC60545, BBL027703, BDBM50009385, MSK000108, s5825, STL372697, AKOS000119071, CCG-205052, DB01917, SDCCGMLS-0066929.P001, SDCCGSBI-0050945.P003, IDI1_000716, 1,4-Diaminobutane, Tetramethylenediamine, NCGC00015837-01, NCGC00015837-02, NCGC00015837-03, NCGC00015837-07, NCGC00162302-01, BP-21408, NCI60_004431, 1ST000108, CS-0022608, D0239, NS00009671, EN300-19074, C00134, C02896, F17678, P-7990, 1,4-Diaminobutane, puriss., >=99.0% (GC), Q410190, BRD-K75282878-300-05-3, F1791-1258, Z104472592, A4738F6F-F1A1-4B30-BF38-866D5AC66C93, 58I
Ghose Rule False
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 52.0
Hydrogen Bond Donor Count 2.0
Pfizer 3 75 Rule False
Np Classifier Class Acetate-derived alkaloids, Polyamines
Deep Smiles NCCCCN
Heavy Atom Count 6.0
Pathway Kegg Map Id map00270
Classyfire Class Organonitrogen compounds
Description Putrescine, also known as tetramethylenediamine or 1,4-butylenediamine, is a member of the class of compounds known as monoalkylamines. Monoalkylamines are organic compounds containing an primary aliphatic amine group. Putrescine is soluble (in water) and a very strong basic compound (based on its pKa). Putrescine can be found in french plantain, which makes putrescine a potential biomarker for the consumption of this food product. Putrescine can be found primarily in most biofluids, including urine, feces, cerebrospinal fluid (CSF), and blood, as well as throughout most human tissues. Putrescine exists in all living species, ranging from bacteria to humans. In humans, putrescine is involved in a couple of metabolic pathways, which include methionine metabolism and spermidine and spermine biosynthesis. Putrescine is also involved in several metabolic disorders, some of which include s-adenosylhomocysteine (SAH) hydrolase deficiency, glycine n-methyltransferase deficiency, cystathionine beta-synthase deficiency, and hypermethioninemia. Moreover, putrescine is found to be associated with pancreatic cancer. Putrescine is a non-carcinogenic (not listed by IARC) potentially toxic compound. Putrescine, or tetramethylenediamine, is a foul-smelling organic chemical compound NH2(CH2)4NH2 (1,4-diaminobutane or butanediamine) that is related to cadaverine, both are produced by the breakdown of amino acids in living and dead organisms and both are toxic in large doses. The two compounds are largely responsible for the foul odor of putrefying flesh, but also contribute to the odor of such processes as bad breath and bacterial vaginosis. They are also found in semen and some microalgae, together with related molecules like spermine and spermidine . As a uremic toxin, this compound can cause uremic syndrome. Uremic syndrome may affect any part of the body and can cause nausea, vomiting, loss of appetite, and weight loss. It can also cause changes in mental status, such as confusion, reduced awareness, agitation, psychosis, seizures, and coma. Abnormal bleeding, such as bleeding spontaneously or profusely from a very minor injury can also occur. Heart problems, such as an irregular heartbeat, inflammation in the sac that surrounds the heart (pericarditis), and increased pressure on the heart can be seen in patients with uremic syndrome. Shortness of breath from fluid buildup in the space between the lungs and the chest wall (pleural effusion) can also be present (T3DB).
Classyfire Subclass Amines
Isotope Atom Count 0.0
Molecular Complexity 17.5
Database Name cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Enzyme Uniprot Id Q96F10, P21673, P52788, P19623, Q13126, P50440, P19113, P11926, P54368
Uniprot Id Q96F10, P21673, Q6QHF9, Q8NE62, Q9UI17, P52788, P19623, P49189, O75936, P19801, Q13126, P17707, P50440, Q93088, Q9UL12, P19113, P11926, Q9H015, Q9NWM0, Q9BSE5, Q9NVH6, Q9H2M3, Q8NCN5, P54368, Q6P1K2, P09057, Q9TTK6, n.a., P14100, P19838, O15648, P49798
Iupac Name butane-1,4-diamine
Prediction Hob 1.0
Class Amines
Veber Rule True
Classyfire Superclass Organic nitrogen compounds
Target Id NPT163
Xlogp -0.9
Superclass Organonitrogen compounds
Subclass Primary amines
Gsk 4 400 Rule True
Molecular Formula C4H12N2
Prediction Swissadme 0.0
Inchi Key KIDHWZJUCRJVML-UHFFFAOYSA-N
Silicos It Class Soluble
Fcsp3 1.0
Logs 1.127
Rotatable Bond Count 3.0
State Solid
Logd -1.981
Synonyms 1, 4-Butylenediamine, 1,4-Butanediamine, 1,4-Butanediammonium, 1,4-Butylenediamine, 1,4-Diaminobutane, 1,4-Tetramethylenediamine, Butane-1,4-diamine, Butanediamine, Butylenediamine, Diaminobutane, H2N(CH2)4NH2, Putrescin, Putrescina, Putreszin, Tetramethyldiamine, Tetramethylendiamin, Tetramethylenediamine, 1,4-DIAMINOBUTANE, H2N(CH2)4nh2, 1,4 Diaminobutane, 1,4 Butanediamine, 1,4-butanediamine, putrescine
Substituent Name Hydrocarbon derivative, Primary aliphatic amine, Aliphatic acyclic compound
Esol Class Highly soluble
Functional Groups CN
Compound Name Putrescine
Kingdom Organic compounds
Prediction Hob Swissadme 0.0
Exact Mass 88.1
Formal Charge 0.0
Monoisotopic Mass 88.1
Hydrogen Bond Acceptor Count 2.0
Molecular Weight 88.15
Gi Absorption True
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Molecular Framework Aliphatic acyclic compounds
Lipinski Rule Of 5 True
Esol 0.2524452
Inchi InChI=1S/C4H12N2/c5-3-1-2-4-6/h1-6H2
Smiles C(CCN)CN
Nring 0.0
Np Classifier Biosynthetic Pathway Alkaloids
Defined Bond Stereocenter Count 0.0
Egan Rule True
Taxonomy Direct Parent Monoalkylamines
Np Classifier Superclass Pseudoalkaloids, Ornithine alkaloids

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