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| Formula | C56H85N17O11 |
| Net Charge | 0 |
| Average Mass | 1172.404 |
| Monoisotopic Mass | 1171.66145 |
| SMILES | CC[C@H](C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)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 |
| 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)/t32-,33-,38-,39-,40-,41-,42-,43-,44-,45-/m0/s1 |
| InChIKey | PANUJGMSOSQAAY-IHXGQVBNSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | blood plasma (BTO_0000131) | PubMed (2437111) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| 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 (CHEBI:80144) has role histamine releasing agent (CHEBI:75298) |
| kinetensin (CHEBI:80144) has role human metabolite (CHEBI:77746) |
| kinetensin (CHEBI:80144) is a oligopeptide (CHEBI:25676) |
| kinetensin (CHEBI:80144) is conjugate base of kinetensin(2+) (CHEBI:147364) |
| Incoming Relation(s) |
| kinetensin(2+) (CHEBI:147364) is conjugate acid of kinetensin (CHEBI:80144) |
| IUPAC Name |
|---|
| L-isoleucyl-L-alanyl-L-arginyl-L-arginyl-L-histidyl-L-prolyl-L-tyrosyl-L-phenylalanyl-L-leucine |
| Synonyms | Source |
|---|---|
| L-Ile-L-Ala-L-Arg-L-Arg-L-His-L-Pro-L-Tyr-L-Phe-L-Leu | ChEBI |
| Ile-Ala-Arg-Arg-His-Pro-Tyr-Phe-Leu | KEGG COMPOUND |
| kinetensin (human) | ChEBI |
| IARRHPYFL | ChEBI |
| I-A-R-R-H-P-Y-F-L | ChEBI |
| H-Ile-Ala-Arg-Arg-His-Pro-Tyr-Phe-Leu-OH | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| C15872 | KEGG COMPOUND |
| FDB029235 | FooDB |
| HMDB0012988 | HMDB |
| WO2009040022 | Patent |
| Registry Numbers | Sources |
|---|---|
| CAS:103131-69-7 | ChemIDplus |
| Citations |
|---|