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CHEBI:147352 - [des-Phe8, des-Arg9]-bradykinin(1+)

ChEBI IDCHEBI:147352
ChEBI Name[des-Phe8, des-Arg9]-bradykinin(1+)
Stars
ASCII Name[des-Phe(8), des-Arg(9)]-bradykinin(1+)
DefinitionA peptide cation obtained by deprotonation of the carboxy group and protonation of the primary amino and guanidino groups of [des-Phe8, des-Arg9]-bradykinin. It is the major species at pH 7.3.
Last Modified6 April 2022
SubmitterElisabeth Coudert
DownloadsMolfile
FormulaC35H53N10O9
Net Charge+1
Average Mass757.870
Monoisotopic Mass757.39915
SMILESNC(=[NH2+])NCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)[O-]
InChIInChI=1S/C35H52N10O9/c36-22(10-4-14-39-35(37)38)31(50)44-16-6-12-26(44)33(52)43-15-5-11-25(43)30(49)40-19-28(47)41-23(18-21-8-2-1-3-9-21)29(48)42-24(20-46)32(51)45-17-7-13-27(45)34(53)54/h1-3,8-9,22-27,46H,4-7,10-20,36H2,(H,40,49)(H,41,47)(H,42,48)(H,53,54)(H4,37,38,39)/p+1/t22-,23-,24-,25-,26-,27-/m0/s1
InChIKeyCRROPKNGCGVIOG-QCOJBMJGSA-O
ChEBI Ontology
Outgoing Relation(s)
[des-Phe8, des-Arg9]-bradykinin(1+) (CHEBI:147352) is a peptide cation (CHEBI:60194)
[des-Phe8, des-Arg9]-bradykinin(1+) (CHEBI:147352) is conjugate acid of [des-Phe8, des-Arg9]-bradykinin (CHEBI:149658)
Incoming Relation(s)
[des-Phe8, des-Arg9]-bradykinin (CHEBI:149658) is conjugate base of [des-Phe8, des-Arg9]-bradykinin(1+) (CHEBI:147352)
IUPAC Name 
(2S)-1-{1-[(2S)-5-{[amino(iminio)methyl]amino}-2-azaniumylpentanoyl]-L-prolyl-L-prolylglycyl-L-phenylalanyl-L-seryl}pyrrolidine-2-carboxylate
Synonyms  Source
Arg-Pro-Pro-Gly-Phe-Ser-Pro(1+)SUBMITTER
bradykinin (1-7)(1+)ChEBI
bradykinin fragment 1-7(1+)ChEBI
L-arginyl-L-prolyl-L-prolylglycyl-L-phenylalanyl-L-seryl-L-proline(1+)ChEBI
des-8,9-BK(1+)ChEBI
L-Arg-L-Pro-L-Pro-Gly-L-Phe-L-Ser-L-Pro(1+)ChEBI
UniProt Name  Source
bradykinin(1-7)UniProt
Citations