CHEBI:147364 - kinetensin(2+)

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ChEBI Name kinetensin(2+)
ChEBI ID CHEBI:147364
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Elisabeth COUDERT
Supplier Information
Download Molfile XML SDF
Formula C56H87N17O11
Net Charge +2
Average Mass 1174.419
Monoisotopic Mass 1173.67600
InChI InChI=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
InChIKey PANUJGMSOSQAAY-IHXGQVBNSA-P
SMILES C([C@H](CC(C)C)NC([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)[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(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 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 Sources
Ile-Ala-Arg-Arg-His-Pro-Tyr-Phe-Leu(2+) SUBMITTER
kinetensin UniProt
L-isoleucyl-L-alanyl-L-arginyl-L-arginyl-L-histidyl-L-prolyl-L-tyrosyl-L-phenylalanyl-L-leucine(2+) SUBMITTER
Citations Waiting for Citations Types Sources
1800960 PubMed citation Europe PMC
8213349 PubMed citation Europe PMC
Last Modified
20 April 2020