[des-Arg(9)]-bradykinin (CHEBI:133068)

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CHEBI:133068 - [des-Arg⁹]-bradykinin

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ChEBI ID	CHEBI:133068
ChEBI Name	[des-Arg⁹]-bradykinin
Stars
ASCII Name	[des-Arg(9)]-bradykinin
Definition	An eight-membered oligopeptide comprising Arg, Pro, Pro, Gly, Phe, Ser, Pro and Phe residues joined in sequence. It is an analogue of bradykinin lacking the Arg residue at position 9.
Last Modified	18 August 2016
Submitter	Steve
Downloads	Molfile

Formula	C44H61N11O10
Net Charge	0
Average Mass	904.039
Monoisotopic Mass	903.46029
SMILES	N=C(N)NCCC[C@H](N)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)/t29-,30-,31-,32-,33-,34-,35-/m0/s1
InChIKey	VCEHWDBVPZFHAG-POFDKVPJSA-N

Roles Classification

Chemical Role:	Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
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 (CHEBI:133068) has role bradykinin receptor B₂ agonist (CHEBI:77496)
	[des-Arg⁹]-bradykinin (CHEBI:133068) is a oligopeptide (CHEBI:25676)
	[des-Arg⁹]-bradykinin (CHEBI:133068) is conjugate base of [des-Arg⁹]-bradykinin(1+) (CHEBI:133069)
Incoming Relation(s)
	[des-Arg⁹]-bradykinin(1+) (CHEBI:133069) is conjugate acid of [des-Arg⁹]-bradykinin (CHEBI:133068)

IUPAC Name
L-arginyl-L-prolyl-L-prolylglycyl-L-phenylalanyl-L-seryl-L-prolyl-L-phenylalanine

Synonyms	Source
Arg-Pro-Pro-Gly-Phe-Ser-Pro-Phe	ChEBI
L-Arg-L-Pro-L-Pro-Gly-L-Phe-L-Ser-L-Pro-L-Phe	ChEBI
RPPGFSPF	ChEBI
1-8-Bradykinin	ChemIDplus
9-de-L-Argininebradykinin	ChemIDplus
9-Des-arg-BK	ChemIDplus

Registry Numbers	Sources
Reaxys:4228002	Reaxys
Reaxys:10326223	Reaxys
CAS:15958-92-6	ChemIDplus

Citations