CHEBI:133069 - [des-Arg9]-bradykinin(1+)

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ChEBI Name [des-Arg9]-bradykinin(1+)
ChEBI ID CHEBI:133069
ChEBI ASCII Name [des-Arg(9)]-bradykinin(1+)
Definition A peptide cation obtained by deprotonation of the carboxy group and protonation of the amino and guanidino groups of [des-Arg9]-bradykinin; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C44H62N11O10
Net Charge +1
Average Mass 905.032
Monoisotopic Mass 904.46756
InChI InChI=1S/C44H61N11O10/c45-29(15-7-19-48-44(46)47)40(61)55-22-10-18-35(55)42(63)54-21-8-16-33(54)38(59)49-25-36(57)50-30(23-27-11-3-1-4-12-27)37(58)52-32(26-56)41(62)53-20-9-17-34(53)39(60)51-31(43(64)65)24-28-13-5-2-6-14-28/h1-6,11-14,29-35,56H,7-10,15-26,45H2,(H,49,59)(H,50,57)(H,51,60)(H,52,58)(H,64,65)(H4,46,47,48)/p+1/t29-,30-,31-,32-,33-,34-,35-/m0/s1
InChIKey VCEHWDBVPZFHAG-POFDKVPJSA-O
SMILES C(=[NH2+])(NCCC[C@@H](C(=O)N1[C@H](C(N2[C@H](C(=O)NCC(N[C@H](C(N[C@H](C(=O)N3[C@H](C(=O)N[C@H](C([O-])=O)CC=4C=CC=CC4)CCC3)CO)=O)CC=5C=CC=CC5)=O)CCC2)=O)CCC1)[NH3+])N
Roles Classification
Biological Role(s): bradykinin receptor B2 agonist
A bradykinin agonist that binds to and activates bradykinin B2 receptors.
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ChEBI Ontology
Outgoing [des-Arg9]-bradykinin(1+) (CHEBI:133069) has role bradykinin receptor B2 agonist (CHEBI:77496)
[des-Arg9]-bradykinin(1+) (CHEBI:133069) is a peptide cation (CHEBI:60194)
[des-Arg9]-bradykinin(1+) (CHEBI:133069) is conjugate acid of [des-Arg9]-bradykinin (CHEBI:133068)
Incoming [des-Arg9]-bradykinin (CHEBI:133068) is conjugate base of [des-Arg9]-bradykinin(1+) (CHEBI:133069)
IUPAC Name
1-[(2S)-2-azaniumyl-5-{[azaniumyl(imino)methyl]amino}pentanoyl]-L-prolyl-L-prolylglycyl-L-phenylalanyl-L-seryl-N-[(1S)-1-carboxylato-2-phenylethyl]-L-prolinamide
Synonyms Sources
Arg-Pro-Pro-Gly-Phe-Ser-Pro-Phe(1+) ChEBI
bradykinin(1-8) UniProt
bradykinin, des-arg(9) ChEBI
L-Arg-L-Pro-L-Pro-Gly-L-Phe-L-Ser-L-Pro-L-Phe(1+) ChEBI
RPPGFSPF(1+) ChEBI
Registry Number Type Source
11308610 Reaxys Registry Number Reaxys
Last Modified
06 April 2022