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CHEBI:147364 - kinetensin(2+)

ChEBI IDCHEBI:147364
ChEBI Namekinetensin(2+)
Stars
DefinitionA peptide cation obtained from the deprotonation of the carboxy group of L-leucine residue, and protonation of the amino group of L-isoleucyl and protonation of the side chains of L-arginyl residues of kinetensin. It is the major species at pH 7.3.
Last Modified20 April 2020
SubmitterElisabeth Coudert
DownloadsMolfile
FormulaC56H87N17O11
Net Charge+2
Average Mass1174.420
Monoisotopic Mass1173.67600
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)N[C@@H](CC(C)C)C(=O)[O-]
InChIInChI=1S/C56H85N17O11/c1-6-32(4)45(57)52(81)66-33(5)46(75)67-38(15-10-22-63-55(58)59)47(76)68-39(16-11-23-64-56(60)61)48(77)71-42(28-36-29-62-30-65-36)53(82)73-24-12-17-44(73)51(80)70-41(27-35-18-20-37(74)21-19-35)49(78)69-40(26-34-13-8-7-9-14-34)50(79)72-43(54(83)84)25-31(2)3/h7-9,13-14,18-21,29-33,38-45,74H,6,10-12,15-17,22-28,57H2,1-5H3,(H,62,65)(H,66,81)(H,67,75)(H,68,76)(H,69,78)(H,70,80)(H,71,77)(H,72,79)(H,83,84)(H4,58,59,63)(H4,60,61,64)/p+2/t32-,33-,38-,39-,40-,41-,42-,43-,44-,45-/m0/s1
InChIKeyPANUJGMSOSQAAY-IHXGQVBNSA-P
Roles Classification
Biological Roles:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
histamine releasing agent  Any substance that can induce the release of histamine from mast cells.
ChEBI Ontology
Outgoing Relation(s)
kinetensin(2+) (CHEBI:147364) has role histamine releasing agent (CHEBI:75298)
kinetensin(2+) (CHEBI:147364) has role human metabolite (CHEBI:77746)
kinetensin(2+) (CHEBI:147364) is a peptide cation (CHEBI:60194)
kinetensin(2+) (CHEBI:147364) is conjugate acid of kinetensin (CHEBI:80144)
Incoming Relation(s)
kinetensin (CHEBI:80144) is conjugate base of kinetensin(2+) (CHEBI:147364)
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-L-tyrosyl-N-[(1S)-1-carboxylato-3-methylbutyl]-L-phenylalaninamide
Synonyms  Source
L-isoleucyl-L-alanyl-L-arginyl-L-arginyl-L-histidyl-L-prolyl-L-tyrosyl-L-phenylalanyl-L-leucine(2+)SUBMITTER
Ile-Ala-Arg-Arg-His-Pro-Tyr-Phe-Leu(2+)SUBMITTER
UniProt Name  Source
kinetensinUniProt
Citations