1.0 2011-09-21 01:52:13 UTC 2018-05-28 18:38:27 UTC FDB029230 Kinetensin 1-3 Kinetensin 1-3 is a fraction of Kinetensin with only Ile-Ala-Arg peptide chain. Kinetensin is a nonapeptide, originally isolated from pepsin-treated plasma that shares some sequence homology with the C-terminal end of neurotensin, serum albumin and angiotensin. It is a potent histamine releaser in rodents and may serve as an inflammatory mediator [HMDB] Ile-Ala-Arg KT(1-3) C15H30N6O4 358.4365 358.232853478 (2R)-2-[(2S)-2-[(2S,3S)-2-amino-3-methylpentanamido]propanamido]-5-carbamimidamidopentanoic acid (2R)-2-[(2S)-2-[(2S,3S)-2-amino-3-methylpentanamido]propanamido]-5-carbamimidamidopentanoic acid 138482-55-0 CC[C@H](C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@H](CCCNC(N)=N)C(O)=O InChI=1S/C15H30N6O4/c1-4-8(2)11(16)13(23)20-9(3)12(22)21-10(14(24)25)6-5-7-19-15(17)18/h8-11H,4-7,16H2,1-3H3,(H,20,23)(H,21,22)(H,24,25)(H4,17,18,19)/t8-,9-,10+,11-/m0/s1 JXUGDUWBMKIJDC-MMWGEVLESA-N belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds. Oligopeptides Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Aliphatic acyclic compounds Alanine and derivatives Alpha amino acid amides Amino acids Branched fatty acids Carbonyl compounds Carboximidamides Carboxylic acids Guanidines Hydrocarbon derivatives Isoleucine and derivatives Monoalkylamines Monocarboxylic acids and derivatives N-acyl amines N-acyl-alpha amino acids Organic oxides Organopnictogen compounds Propargyl-type 1,3-dipolar organic compounds Secondary carboxylic acid amides Alanine or derivatives Aliphatic acyclic compound Alpha-amino acid amide Alpha-amino acid or derivatives Alpha-oligopeptide Amine Amino acid Amino acid or derivatives Branched fatty acid Carbonyl group Carboxamide group Carboximidamide Carboxylic acid Fatty acid Fatty acyl Fatty amide Guanidine Hydrocarbon derivative Isoleucine or derivatives Monocarboxylic acid or derivatives N-acyl-alpha amino acid or derivatives N-acyl-alpha-amino acid N-acyl-amine N-substituted-alpha-amino acid Organic 1,3-dipolar compound Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary aliphatic amine Primary amine Propargyl-type 1,3-dipolar organic compound Secondary carboxylic acid amide Solid logp -2.85 ALOGPS logs -3.23 ALOGPS solubility 2.13e-01 g/l ALOGPS logp -2.9 ChemAxon pka_strongest_acidic 3.41 ChemAxon pka_strongest_basic 11.98 ChemAxon iupac (2R)-2-[(2S)-2-[(2S,3S)-2-amino-3-methylpentanamido]propanamido]-5-carbamimidamidopentanoic acid ChemAxon average_mass 358.4365 ChemAxon mono_mass 358.232853478 ChemAxon smiles CC[C@H](C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@H](CCCNC(N)=N)C(O)=O ChemAxon formula C15H30N6O4 ChemAxon inchi InChI=1S/C15H30N6O4/c1-4-8(2)11(16)13(23)20-9(3)12(22)21-10(14(24)25)6-5-7-19-15(17)18/h8-11H,4-7,16H2,1-3H3,(H,20,23)(H,21,22)(H,24,25)(H4,17,18,19)/t8-,9-,10+,11-/m0/s1 ChemAxon inchikey JXUGDUWBMKIJDC-MMWGEVLESA-N ChemAxon polar_surface_area 183.42 ChemAxon refractivity 102.11 ChemAxon polarizability 37.86 ChemAxon rotatable_bond_count 11 ChemAxon acceptor_count 8 ChemAxon donor_count 7 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 26464 Specdb::CMs 40024 Specdb::MsMs 324673 Specdb::MsMs 324674 Specdb::MsMs 324675 Specdb::MsMs 373144 Specdb::MsMs 373145 Specdb::MsMs 373146 HMDB12983