Tyrosylarginine
PubChem CID
2932
Structure
Molecular Formula
Synonyms
- tyrosylarginine
- Tyrosyl-Arginine
- YR dipeptide
- Y-R Dipeptide
- Tyr-arg;L-Tyrosyl-L-arginine;Kiotorphin
Molecular Weight
337.37 g/mol
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Dates
- Create:2005-03-25
- Modify:2024-12-27
Description
Tyrosyl-Arginine is a peptide.
Chemical Structure Depiction
SVG Image
IUPAC Condensed
H-DL-Tyr-DL-Arg-OH
Sequence
YR
PLN
H-YR-OH
HELM
PEPTIDE1{(Y,[dY]).(R,[dR])}$$$$V2.0
IUPAC
DL-tyrosyl-DL-arginine
2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
Computed by LexiChem 2.6.6 (PubChem release 2019.06.18)
InChI=1S/C15H23N5O4/c16-11(8-9-3-5-10(21)6-4-9)13(22)20-12(14(23)24)2-1-7-19-15(17)18/h3-6,11-12,21H,1-2,7-8,16H2,(H,20,22)(H,23,24)(H4,17,18,19)
Computed by InChI 1.0.5 (PubChem release 2019.06.18)
JXNRXNCCROJZFB-UHFFFAOYSA-N
Computed by InChI 1.0.5 (PubChem release 2019.06.18)
C1=CC(=CC=C1CC(C(=O)NC(CCCN=C(N)N)C(=O)O)N)O
Computed by OEChem 2.1.5 (PubChem release 2019.06.18)
C15H23N5O4
Computed by PubChem 2.1 (PubChem release 2019.06.18)
- tyrosylarginine
- Tyrosyl-Arginine
- YR dipeptide
- Y-R Dipeptide
- Tyr-arg;L-Tyrosyl-L-arginine;Kiotorphin
- Tyrosine Arginine dipeptide
- Tyrosine-Arginine dipeptide
- SCHEMBL2889815
- DTXSID90867967
- CHEBI:193878
- JXNRXNCCROJZFB-UHFFFAOYSA-N
- 2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
- Tyrosyl-N~5~-(diaminomethylidene)ornithine
- yr
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
337.37 g/mol
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
XLogP3
Property Value
-4.3
Reference
Computed by XLogP3 3.0 (PubChem release 2019.06.18)
Property Name
Hydrogen Bond Donor Count
Property Value
6
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Hydrogen Bond Acceptor Count
Property Value
6
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Rotatable Bond Count
Property Value
9
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Exact Mass
Property Value
337.17500423 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Monoisotopic Mass
Property Value
337.17500423 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Topological Polar Surface Area
Property Value
177Ų
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Heavy Atom Count
Property Value
24
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
445
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
2
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2019.01.04)
Solid
-2.48
Extrapolated
NIST Number
1087742
Instrument Type
IT/ion trap
Collision Energy
0
Spectrum Type
MS2
Precursor Type
[M+2H]2+
Precursor m/z
169.5948
Total Peaks
54
m/z Top Peak
161
m/z 2nd Highest
175.1
m/z 3rd Highest
136
Thumbnail
NIST Number
1087761
Instrument Type
IT/ion trap
Collision Energy
0
Spectrum Type
MS2
Precursor Type
[M+H]+
Precursor m/z
338.1823
Total Peaks
53
m/z Top Peak
321.1
m/z 2nd Highest
320.2
m/z 3rd Highest
175
Thumbnail
Follow these links to do a live 2D search or do a live 3D search for this compound, sorted by annotation score. This section is deprecated (see here for details), but these live search links provide equivalent functionality to the table that was previously shown here.
Same Connectivity Count
Same Isotope Count
Same Parent, Connectivity Count
Same Parent, Isotope Count
Same Parent, Exact Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=JXNRXNCCROJZFB-UHFFFAOYSA-N
- ChEBITyrosyl-Argininehttps://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:193878
- EPA DSSToxTyrosyl-N~5~-(diaminomethylidene)ornithinehttps://comptox.epa.gov/dashboard/DTXSID90867967
- FooDBLICENSEFooDB is offered to the public as a freely available resource. Use and re-distribution of the data, in whole or in part, for commercial purposes requires explicit permission of the authors and explicit acknowledgment of the source material (FooDB) and the original publication.https://foodb.ca/aboutTyrosyl-Argininehttps://foodb.ca/compounds/FDB112103
- Human Metabolome Database (HMDB)LICENSEHMDB is offered to the public as a freely available resource. Use and re-distribution of the data, in whole or in part, for commercial purposes requires explicit permission of the authors and explicit acknowledgment of the source material (HMDB) and the original publication (see the HMDB citing page). We ask that users who download significant portions of the database cite the HMDB paper in any resulting publications.http://www.hmdb.ca/citingTyrosyl-Argininehttp://www.hmdb.ca/metabolites/HMDB0029099
- NIST Mass Spectrometry Data CenterLICENSEData covered by the Standard Reference Data Act of 1968 as amended.https://www.nist.gov/srd/public-law
- PubChem
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
- PATENTSCOPE (WIPO)SID 392573366https://pubchem.ncbi.nlm.nih.gov/substance/392573366
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