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

ChEBI IDCHEBI:147365
ChEBI Namekinetensin (1-8)(2+)
Stars
DefinitionA 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.
Last Modified20 April 2020
SubmitterElisabeth Coudert
DownloadsMolfile
FormulaC50H76N16O10
Net Charge+2
Average Mass1061.260
Monoisotopic Mass1060.59194
SMILESCC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1cncn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]
InChIInChI=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
InChIKeyKLNGALQMFAURPH-NOQNJSOHSA-P
Roles Classification
Biological Roles:
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).
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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  Source
Ile-Ala-Arg-Arg-His-Pro-Tyr-Phe(2+)SUBMITTER
L-isoleucyl-L-alanyl-L-arginyl-L-arginyl-L-histidyl-L-prolyl-L-tyrosyl-L-phenylalanine(2+)SUBMITTER
kinetensin-(1-8)(2+)ChEBI
UniProt Name  Source
kinetensin-(1-8)UniProt
Citations