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CHEBI:132988 - bradykinin(2+)

ChEBI IDCHEBI:132988
ChEBI Namebradykinin(2+)
Stars
DefinitionA peptide cation obtained by deprotonation of the carboxy group and protonation of the amino and guanidino groups of bradykinin; major species at pH 7.3.
Last Modified26 February 2024
SubmitterSteve
DownloadsMolfile
FormulaC50H75N15O11
Net Charge+2
Average Mass1062.244
Monoisotopic Mass1061.57595
SMILESNC(=[NH2+])NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCNC(N)=[NH2+])C(=O)[O-]
InChIInChI=1S/C50H73N15O11/c51-32(16-7-21-56-49(52)53)45(72)65-25-11-20-39(65)47(74)64-24-9-18-37(64)43(70)58-28-40(67)59-34(26-30-12-3-1-4-13-30)41(68)62-36(29-66)46(73)63-23-10-19-38(63)44(71)61-35(27-31-14-5-2-6-15-31)42(69)60-33(48(75)76)17-8-22-57-50(54)55/h1-6,12-15,32-39,66H,7-11,16-29,51H2,(H,58,70)(H,59,67)(H,60,69)(H,61,71)(H,62,68)(H,75,76)(H4,52,53,56)(H4,54,55,57)/p+2/t32-,33-,34-,35-,36-,37-,38-,39-/m0/s1
InChIKeyQXZGBUJJYSLZLT-FDISYFBBSA-P
ChEBI Ontology
Outgoing Relation(s)
bradykinin(2+) (CHEBI:132988) is a peptide cation (CHEBI:60194)
bradykinin(2+) (CHEBI:132988) is conjugate acid of bradykinin (CHEBI:3165)
Incoming Relation(s)
bradykinin (CHEBI:3165) is conjugate base of bradykinin(2+) (CHEBI:132988)
IUPAC Names 
1-[(2S)-2-azaniumyl-5-carbamimidamidopentanoyl]-L-prolyl-L-prolylglycyl-L-phenylalanyl-L-seryl-L-prolyl-N-[(1S)-4-carbamimidamido-1-carboxylatobutyl]-L-phenylalaninamide
1-[(2S)-2-azaniumyl-5-{[azaniumyl(imino)methyl]amino}pentanoyl]-L-prolyl-L-prolylglycyl-L-phenylalanyl-L-seryl-L-prolyl-N-[(1S)-4-{[azaniumyl(imino)methyl]amino}-1-carboxylatobutyl]-L-phenylalaninamide
UniProt Name  Source
bradykininUniProt