[des-Arg(9)]-bradykinin(1+) (CHEBI:133069)

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

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

Take structure to advanced search

ChEBI ID	CHEBI:133069
ChEBI Name	[des-Arg⁹]-bradykinin(1+)
Stars
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.
Last Modified	6 April 2022
Submitter	Steve
Downloads	Molfile

Formula	C44H62N11O10
Net Charge	+1
Average Mass	905.047
Monoisotopic Mass	904.46756
SMILES	NC(=[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)N[C@@H](Cc1ccccc1)C(=O)[O-]
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

Roles Classification

Biological Role:

bradykinin receptor B2 agonist A bradykinin agonist that binds to and activates bradykinin B₂ receptors.

ChEBI Ontology

Outgoing Relation(s)
	[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 Relation(s)
	[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	Source
Arg-Pro-Pro-Gly-Phe-Ser-Pro-Phe(1+)	ChEBI
L-Arg-L-Pro-L-Pro-Gly-L-Phe-L-Ser-L-Pro-L-Phe(1+)	ChEBI
RPPGFSPF(1+)	ChEBI
bradykinin, des-arg(9)	ChEBI

UniProt Name	Source
bradykinin(1-8)	UniProt

Registry Numbers	Sources
Reaxys:11308610	Reaxys