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CHEBI:133051 - [Hyp3]-bradykinin

ChEBI IDCHEBI:133051
ChEBI Name[Hyp3]-bradykinin
Stars
ASCII Name[Hyp(3)]-bradykinin
DefinitionAn oligopeptide that is an analogue of bradykinin in which the third amino acid, proline, is replaced with hydroxyproline.
Last Modified17 August 2016
SubmitterSteve
DownloadsMolfile
FormulaC50H73N15O12
Net Charge0
Average Mass1076.227
Monoisotopic Mass1075.55631
SMILESN=C(N)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]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(=N)N)C(=O)O
InChIInChI=1S/C50H73N15O12/c51-32(15-7-19-56-49(52)53)45(73)64-22-10-18-38(64)47(75)65-27-31(67)25-39(65)43(71)58-26-40(68)59-34(23-29-11-3-1-4-12-29)41(69)62-36(28-66)46(74)63-21-9-17-37(63)44(72)61-35(24-30-13-5-2-6-14-30)42(70)60-33(48(76)77)16-8-20-57-50(54)55/h1-6,11-14,31-39,66-67H,7-10,15-28,51H2,(H,58,71)(H,59,68)(H,60,70)(H,61,72)(H,62,69)(H,76,77)(H4,52,53,56)(H4,54,55,57)/t31-,32+,33+,34+,35+,36+,37+,38+,39+/m1/s1
InChIKeyJXRLHZCEMXTCBN-DIBGMJQNSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) PubMed (2156727)
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
human urinary metabolite  Any metabolite (endogenous or exogenous) found in human urine samples.
bradykinin receptor agonist  An agonist that binds to and activates bradykinin receptors
hormone  Originally referring to an endogenous compound that is formed in specialized organ or group of cells and carried to another organ or group of cells, in the same organism, upon which it has a specific regulatory function, the term is now commonly used to include non-endogenous, semi-synthetic and fully synthetic analogues of such compounds.
ChEBI Ontology
Outgoing Relation(s)
[Hyp3]-bradykinin (CHEBI:133051) has functional parent bradykinin (CHEBI:3165)
[Hyp3]-bradykinin (CHEBI:133051) has role bradykinin receptor agonist (CHEBI:77495)
[Hyp3]-bradykinin (CHEBI:133051) has role human urinary metabolite (CHEBI:84087)
[Hyp3]-bradykinin (CHEBI:133051) is a oligopeptide (CHEBI:25676)
[Hyp3]-bradykinin (CHEBI:133051) is a peptide hormone (CHEBI:25905)
[Hyp3]-bradykinin (CHEBI:133051) is conjugate base of [Hyp3]-bradykinin(2+) (CHEBI:133054)
Incoming Relation(s)
[Hyp3]-bradykinin(2+) (CHEBI:133054) is conjugate acid of [Hyp3]-bradykinin (CHEBI:133051)
IUPAC Name 
L-arginyl-L-prolyl-(4R)-4-hydroxy-L-prolylglycyl-L-phenylalanyl-L-seryl-L-prolyl-L-phenylalanyl-L-arginine
Synonyms  Source
3-Hydroxy-pro-bradykininHMDB
3-(L-4-Hydroxyproline)bradykininHMDB
Arg-3-hyp-bradykininChemIDplus
Arg-Pro-Hyp-Gly-Phe-Ser-Pro-Phe-ArgChEBI
bradykinin hydroxy-pro(3)ChEBI
Bradykinin, hydroxy-pro(3)ChemIDplus
Manual XrefsDatabases
HMDB0011728HMDB
Registry NumbersSources
Reaxys:24161146Reaxys
Reaxys:8471700Reaxys
CAS:37642-65-2ChemIDplus
Citations