CHEBI:147365 - kinetensin (1-8)(2+)

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name kinetensin (1-8)(2+) ChEBI ID CHEBI:147365 Definition A peptide cation obtained from the deprotonation of the carboxy group of L-phenylalanine residue, and protonation of the amino group of L-isoleucyl and protonation of the side chains of L-arginyl residues of kinetensin (1-8). It is the major species at pH 7.3. Stars This entity has been manually annotated by the ChEBI Team. Submitter Elisabeth COUDERT Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C50H76N16O10 Net Charge +2 Average Mass 1061.259 Monoisotopic Mass 1060.59194 InChI InChI=1S/C50H74N16O10/c1-4-28(2)40(51)46(73)60-29(3)41(68)61-34(13-8-20-57-49(52)53)42(69)62-35(14-9-21-58-50(54)55)43(70)64-37(25-32-26-56-27-59-32)47(74)66-22-10-15-39(66)45(72)63-36(23-31-16-18-33(67)19-17-31)44(71)65-38(48(75)76)24-30-11-6-5-7-12-30/h5-7,11-12,16-19,26-29,34-40,67H,4,8-10,13-15,20-25,51H2,1-3H3,(H,56,59)(H,60,73)(H,61,68)(H,62,69)(H,63,72)(H,64,70)(H,65,71)(H,75,76)(H4,52,53,57)(H4,54,55,58)/p+2/t28-,29-,34-,35-,36-,37-,38-,39-,40-/m0/s1 InChIKey KLNGALQMFAURPH-NOQNJSOHSA-P SMILES C([C@H](CC1=CC=CC=C1)NC([C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H]3N(CCC3)C([C@@H](NC([C@H](CCCNC(=[NH2+])N)NC([C@H](CCCNC(N)=[NH2+])NC([C@H](C)NC([C@H]([C@H](CC)C)[NH3+])=O)=O)=O)=O)CC4=CN=CN4)=O)=O)(=O)[O-] Roles Classification Biological Role(s): histamine releasing agent Any substance that can induce the release of histamine from mast cells. human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). View more via ChEBI Ontology ChEBI Ontology Outgoing kinetensin (1-8)(2+) (CHEBI:147365) has role histamine releasing agent (CHEBI:75298) kinetensin (1-8)(2+) (CHEBI:147365) has role human metabolite (CHEBI:77746) kinetensin (1-8)(2+) (CHEBI:147365) is a peptide cation (CHEBI:60194) kinetensin (1-8)(2+) (CHEBI:147365) is conjugate acid of kinetensin (1-8) (CHEBI:149501) Incoming kinetensin (1-8) (CHEBI:149501) is conjugate base of kinetensin (1-8)(2+) (CHEBI:147365) IUPAC Name N-[(2S,3S)-2-azaniumyl-3-methylpentanoyl]-L-alanyl-N5-[amino(iminio)methyl]-L-ornithyl-N5-[amino(iminio)methyl]-L-ornithyl-L-histidyl-L-prolyl-N-[(1S)-1-carboxylato-2-phenylethyl]-L-tyrosinamide Synonyms Sources Ile-Ala-Arg-Arg-His-Pro-Tyr-Phe(2+) SUBMITTER kinetensin-(1-8) UniProt kinetensin-(1-8)(2+) ChEBI L-isoleucyl-L-alanyl-L-arginyl-L-arginyl-L-histidyl-L-prolyl-L-tyrosyl-L-phenylalanine(2+) SUBMITTER Citation Type Source 10969042 PubMed citation SUBMITTER Last Modified 20 April 2020