Hmdb loader
Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2012-09-06 21:03:45 UTC
Update Date2021-09-14 15:37:03 UTC
HMDB IDHMDB0029117
Secondary Accession Numbers
  • HMDB29117
Metabolite Identification
Common NameTyrosyl-Tyrosine
DescriptionTyrosyl-Tyrosine is a dipeptied compoosed of two tyrosine residues. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an 'Expected' metabolite.
Structure
Data?1582753378
Synonyms
ValueSource
DityrosineChEBI
L-Tyrosyl-L-tyrosineHMDB
Tyr-tyrHMDB
Tyrosine tyrosine dipeptideHMDB
Tyrosine-tyrosine dipeptideHMDB
TyrosyltyrosineHMDB
Y-y dipeptideHMDB
YY dipeptideHMDB
Peptide tyrosine-tyrosineMeSH, HMDB
Chemical FormulaC18H20N2O5
Average Molecular Weight344.3618
Monoisotopic Molecular Weight344.13722176
IUPAC Name2-[2-amino-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanoic acid
Traditional Nametyr-tyr
CAS Registry NumberNot Available
SMILES
NC(CC1=CC=C(O)C=C1)C(=O)NC(CC1=CC=C(O)C=C1)C(O)=O
InChI Identifier
InChI=1S/C18H20N2O5/c19-15(9-11-1-5-13(21)6-2-11)17(23)20-16(18(24)25)10-12-3-7-14(22)8-4-12/h1-8,15-16,21-22H,9-10,19H2,(H,20,23)(H,24,25)
InChI KeyJAQGKXUEKGKTKX-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct ParentDipeptides
Alternative Parents
Substituents
  • Alpha-dipeptide
  • Tyrosine or derivatives
  • Phenylalanine or derivatives
  • N-acyl-alpha-amino acid
  • N-acyl-alpha amino acid or derivatives
  • Alpha-amino acid amide
  • 3-phenylpropanoic-acid
  • Alpha-amino acid or derivatives
  • Amphetamine or derivatives
  • 1-hydroxy-2-unsubstituted benzenoid
  • Aralkylamine
  • Phenol
  • Monocyclic benzene moiety
  • Fatty amide
  • Fatty acyl
  • Benzenoid
  • Amino acid or derivatives
  • Carboxamide group
  • Amino acid
  • Secondary carboxylic acid amide
  • Monocarboxylic acid or derivatives
  • Carboxylic acid
  • Hydrocarbon derivative
  • Primary aliphatic amine
  • Amine
  • Organic oxygen compound
  • Carbonyl group
  • Organic oxide
  • Organopnictogen compound
  • Organic nitrogen compound
  • Organonitrogen compound
  • Organooxygen compound
  • Primary amine
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
RoleNot Available
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogP-0.68Extrapolated
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility0.094 g/LALOGPS
logP-1.3ALOGPS
logP-0.68ChemAxon
logS-3.6ALOGPS
pKa (Strongest Acidic)3.42ChemAxon
pKa (Strongest Basic)8.01ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area132.88 ŲChemAxon
Rotatable Bond Count7ChemAxon
Refractivity90.99 m³·mol⁻¹ChemAxon
Polarizability35.47 ųChemAxon
Number of Rings2ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+180.25531661259
DarkChem[M-H]-180.40331661259
DeepCCS[M+H]+177.92230932474
DeepCCS[M-H]-175.56430932474
DeepCCS[M-2H]-209.44630932474
DeepCCS[M+Na]+184.69730932474
AllCCS[M+H]+181.932859911
AllCCS[M+H-H2O]+178.932859911
AllCCS[M+NH4]+184.632859911
AllCCS[M+Na]+185.332859911
AllCCS[M-H]-180.532859911
AllCCS[M+Na-2H]-180.632859911
AllCCS[M+HCOO]-180.832859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Tyrosyl-TyrosineNC(CC1=CC=C(O)C=C1)C(=O)NC(CC1=CC=C(O)C=C1)C(O)=O4729.3Standard polar33892256
Tyrosyl-TyrosineNC(CC1=CC=C(O)C=C1)C(=O)NC(CC1=CC=C(O)C=C1)C(O)=O2764.6Standard non polar33892256
Tyrosyl-TyrosineNC(CC1=CC=C(O)C=C1)C(=O)NC(CC1=CC=C(O)C=C1)C(O)=O3617.4Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Tyrosyl-Tyrosine,1TMS,isomer #1C[Si](C)(C)OC1=CC=C(CC(N)C(=O)NC(CC2=CC=C(O)C=C2)C(=O)O)C=C13365.0Semi standard non polar33892256
Tyrosyl-Tyrosine,1TMS,isomer #2C[Si](C)(C)OC1=CC=C(CC(NC(=O)C(N)CC2=CC=C(O)C=C2)C(=O)O)C=C13361.5Semi standard non polar33892256
Tyrosyl-Tyrosine,1TMS,isomer #3C[Si](C)(C)OC(=O)C(CC1=CC=C(O)C=C1)NC(=O)C(N)CC1=CC=C(O)C=C13302.9Semi standard non polar33892256
Tyrosyl-Tyrosine,1TMS,isomer #4C[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)NC(CC1=CC=C(O)C=C1)C(=O)O3378.0Semi standard non polar33892256
Tyrosyl-Tyrosine,1TMS,isomer #5C[Si](C)(C)N(C(=O)C(N)CC1=CC=C(O)C=C1)C(CC1=CC=C(O)C=C1)C(=O)O3344.7Semi standard non polar33892256
Tyrosyl-Tyrosine,2TMS,isomer #1C[Si](C)(C)OC1=CC=C(CC(N)C(=O)NC(CC2=CC=C(O[Si](C)(C)C)C=C2)C(=O)O)C=C13308.7Semi standard non polar33892256
Tyrosyl-Tyrosine,2TMS,isomer #10C[Si](C)(C)N(C(CC1=CC=C(O)C=C1)C(=O)NC(CC1=CC=C(O)C=C1)C(=O)O)[Si](C)(C)C3502.7Semi standard non polar33892256
Tyrosyl-Tyrosine,2TMS,isomer #11C[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)N(C(CC1=CC=C(O)C=C1)C(=O)O)[Si](C)(C)C3293.5Semi standard non polar33892256
Tyrosyl-Tyrosine,2TMS,isomer #2C[Si](C)(C)OC(=O)C(CC1=CC=C(O)C=C1)NC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C13231.3Semi standard non polar33892256
Tyrosyl-Tyrosine,2TMS,isomer #3C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(CC1=CC=C(O)C=C1)C(=O)O3309.0Semi standard non polar33892256
Tyrosyl-Tyrosine,2TMS,isomer #4C[Si](C)(C)OC1=CC=C(CC(N)C(=O)N(C(CC2=CC=C(O)C=C2)C(=O)O)[Si](C)(C)C)C=C13257.1Semi standard non polar33892256
Tyrosyl-Tyrosine,2TMS,isomer #5C[Si](C)(C)OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)NC(=O)C(N)CC1=CC=C(O)C=C13235.7Semi standard non polar33892256
Tyrosyl-Tyrosine,2TMS,isomer #6C[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)O3314.3Semi standard non polar33892256
Tyrosyl-Tyrosine,2TMS,isomer #7C[Si](C)(C)OC1=CC=C(CC(C(=O)O)N(C(=O)C(N)CC2=CC=C(O)C=C2)[Si](C)(C)C)C=C13256.4Semi standard non polar33892256
Tyrosyl-Tyrosine,2TMS,isomer #8C[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)NC(CC1=CC=C(O)C=C1)C(=O)O[Si](C)(C)C3277.8Semi standard non polar33892256
Tyrosyl-Tyrosine,2TMS,isomer #9C[Si](C)(C)OC(=O)C(CC1=CC=C(O)C=C1)N(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C3201.5Semi standard non polar33892256
Tyrosyl-Tyrosine,3TMS,isomer #1C[Si](C)(C)OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)NC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C13250.0Semi standard non polar33892256
Tyrosyl-Tyrosine,3TMS,isomer #10C[Si](C)(C)OC1=CC=C(CC(NC(=O)C(CC2=CC=C(O)C=C2)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)C=C13412.7Semi standard non polar33892256
Tyrosyl-Tyrosine,3TMS,isomer #11C[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)O)[Si](C)(C)C3220.6Semi standard non polar33892256
Tyrosyl-Tyrosine,3TMS,isomer #12C[Si](C)(C)OC(=O)C(CC1=CC=C(O)C=C1)NC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C3341.0Semi standard non polar33892256
Tyrosyl-Tyrosine,3TMS,isomer #13C[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)N(C(CC1=CC=C(O)C=C1)C(=O)O[Si](C)(C)C)[Si](C)(C)C3164.9Semi standard non polar33892256
Tyrosyl-Tyrosine,3TMS,isomer #14C[Si](C)(C)N(C(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(CC1=CC=C(O)C=C1)C(=O)O3395.6Semi standard non polar33892256
Tyrosyl-Tyrosine,3TMS,isomer #2C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)O3297.1Semi standard non polar33892256
Tyrosyl-Tyrosine,3TMS,isomer #3C[Si](C)(C)OC1=CC=C(CC(N)C(=O)N(C(CC2=CC=C(O[Si](C)(C)C)C=C2)C(=O)O)[Si](C)(C)C)C=C13255.3Semi standard non polar33892256
Tyrosyl-Tyrosine,3TMS,isomer #4C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(CC1=CC=C(O)C=C1)C(=O)O[Si](C)(C)C3215.0Semi standard non polar33892256
Tyrosyl-Tyrosine,3TMS,isomer #5C[Si](C)(C)OC(=O)C(CC1=CC=C(O)C=C1)N(C(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C3139.3Semi standard non polar33892256
Tyrosyl-Tyrosine,3TMS,isomer #6C[Si](C)(C)OC1=CC=C(CC(C(=O)NC(CC2=CC=C(O)C=C2)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C13402.7Semi standard non polar33892256
Tyrosyl-Tyrosine,3TMS,isomer #7C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(CC1=CC=C(O)C=C1)C(=O)O)[Si](C)(C)C3222.9Semi standard non polar33892256
Tyrosyl-Tyrosine,3TMS,isomer #8C[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C3211.0Semi standard non polar33892256
Tyrosyl-Tyrosine,3TMS,isomer #9C[Si](C)(C)OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C3140.0Semi standard non polar33892256
Tyrosyl-Tyrosine,4TMS,isomer #1C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C3238.6Semi standard non polar33892256
Tyrosyl-Tyrosine,4TMS,isomer #1C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C2949.7Standard non polar33892256
Tyrosyl-Tyrosine,4TMS,isomer #10C[Si](C)(C)OC1=CC=C(CC(C(=O)O)N(C(=O)C(CC2=CC=C(O)C=C2)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C=C13373.4Semi standard non polar33892256
Tyrosyl-Tyrosine,4TMS,isomer #10C[Si](C)(C)OC1=CC=C(CC(C(=O)O)N(C(=O)C(CC2=CC=C(O)C=C2)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C=C13169.8Standard non polar33892256
Tyrosyl-Tyrosine,4TMS,isomer #11C[Si](C)(C)OC(=O)C(CC1=CC=C(O)C=C1)N(C(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3321.3Semi standard non polar33892256
Tyrosyl-Tyrosine,4TMS,isomer #11C[Si](C)(C)OC(=O)C(CC1=CC=C(O)C=C1)N(C(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3167.1Standard non polar33892256
Tyrosyl-Tyrosine,4TMS,isomer #2C[Si](C)(C)OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N(C(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C3220.1Semi standard non polar33892256
Tyrosyl-Tyrosine,4TMS,isomer #2C[Si](C)(C)OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N(C(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C2926.2Standard non polar33892256
Tyrosyl-Tyrosine,4TMS,isomer #3C[Si](C)(C)OC1=CC=C(CC(NC(=O)C(CC2=CC=C(O[Si](C)(C)C)C=C2)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)C=C13400.9Semi standard non polar33892256
Tyrosyl-Tyrosine,4TMS,isomer #3C[Si](C)(C)OC1=CC=C(CC(NC(=O)C(CC2=CC=C(O[Si](C)(C)C)C=C2)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)C=C13090.0Standard non polar33892256
Tyrosyl-Tyrosine,4TMS,isomer #4C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)O)[Si](C)(C)C3263.3Semi standard non polar33892256
Tyrosyl-Tyrosine,4TMS,isomer #4C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)O)[Si](C)(C)C3019.9Standard non polar33892256
Tyrosyl-Tyrosine,4TMS,isomer #5C[Si](C)(C)OC(=O)C(CC1=CC=C(O)C=C1)NC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C3314.2Semi standard non polar33892256
Tyrosyl-Tyrosine,4TMS,isomer #5C[Si](C)(C)OC(=O)C(CC1=CC=C(O)C=C1)NC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C3082.9Standard non polar33892256
Tyrosyl-Tyrosine,4TMS,isomer #6C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(CC1=CC=C(O)C=C1)C(=O)O[Si](C)(C)C)[Si](C)(C)C3143.4Semi standard non polar33892256
Tyrosyl-Tyrosine,4TMS,isomer #6C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(CC1=CC=C(O)C=C1)C(=O)O[Si](C)(C)C)[Si](C)(C)C3018.0Standard non polar33892256
Tyrosyl-Tyrosine,4TMS,isomer #7C[Si](C)(C)OC1=CC=C(CC(C(=O)N(C(CC2=CC=C(O)C=C2)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C13371.9Semi standard non polar33892256
Tyrosyl-Tyrosine,4TMS,isomer #7C[Si](C)(C)OC1=CC=C(CC(C(=O)N(C(CC2=CC=C(O)C=C2)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C13168.6Standard non polar33892256
Tyrosyl-Tyrosine,4TMS,isomer #8C[Si](C)(C)OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)NC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C3308.0Semi standard non polar33892256
Tyrosyl-Tyrosine,4TMS,isomer #8C[Si](C)(C)OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)NC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C3085.3Standard non polar33892256
Tyrosyl-Tyrosine,4TMS,isomer #9C[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C)[Si](C)(C)C3141.1Semi standard non polar33892256
Tyrosyl-Tyrosine,4TMS,isomer #9C[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C)[Si](C)(C)C3018.2Standard non polar33892256
Tyrosyl-Tyrosine,5TMS,isomer #1C[Si](C)(C)OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)NC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C3332.0Semi standard non polar33892256
Tyrosyl-Tyrosine,5TMS,isomer #1C[Si](C)(C)OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)NC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C3062.4Standard non polar33892256
Tyrosyl-Tyrosine,5TMS,isomer #2C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C)[Si](C)(C)C3222.1Semi standard non polar33892256
Tyrosyl-Tyrosine,5TMS,isomer #2C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C)[Si](C)(C)C3007.5Standard non polar33892256
Tyrosyl-Tyrosine,5TMS,isomer #3C[Si](C)(C)OC1=CC=C(CC(C(=O)O)N(C(=O)C(CC2=CC=C(O[Si](C)(C)C)C=C2)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C=C13417.1Semi standard non polar33892256
Tyrosyl-Tyrosine,5TMS,isomer #3C[Si](C)(C)OC1=CC=C(CC(C(=O)O)N(C(=O)C(CC2=CC=C(O[Si](C)(C)C)C=C2)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C=C13132.9Standard non polar33892256
Tyrosyl-Tyrosine,5TMS,isomer #4C[Si](C)(C)OC(=O)C(CC1=CC=C(O)C=C1)N(C(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3346.5Semi standard non polar33892256
Tyrosyl-Tyrosine,5TMS,isomer #4C[Si](C)(C)OC(=O)C(CC1=CC=C(O)C=C1)N(C(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3146.9Standard non polar33892256
Tyrosyl-Tyrosine,5TMS,isomer #5C[Si](C)(C)OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N(C(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3346.1Semi standard non polar33892256
Tyrosyl-Tyrosine,5TMS,isomer #5C[Si](C)(C)OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N(C(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3148.5Standard non polar33892256
Tyrosyl-Tyrosine,6TMS,isomer #1C[Si](C)(C)OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N(C(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3408.1Semi standard non polar33892256
Tyrosyl-Tyrosine,6TMS,isomer #1C[Si](C)(C)OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N(C(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3127.1Standard non polar33892256
Tyrosyl-Tyrosine,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1=CC=C(CC(N)C(=O)NC(CC2=CC=C(O)C=C2)C(=O)O)C=C13637.2Semi standard non polar33892256
Tyrosyl-Tyrosine,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1=CC=C(CC(NC(=O)C(N)CC2=CC=C(O)C=C2)C(=O)O)C=C13633.3Semi standard non polar33892256
Tyrosyl-Tyrosine,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CC=C(O)C=C1)NC(=O)C(N)CC1=CC=C(O)C=C13609.4Semi standard non polar33892256
Tyrosyl-Tyrosine,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)NC(CC1=CC=C(O)C=C1)C(=O)O3631.3Semi standard non polar33892256
Tyrosyl-Tyrosine,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)N(C(=O)C(N)CC1=CC=C(O)C=C1)C(CC1=CC=C(O)C=C1)C(=O)O3616.2Semi standard non polar33892256
Tyrosyl-Tyrosine,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1=CC=C(CC(N)C(=O)NC(CC2=CC=C(O[Si](C)(C)C(C)(C)C)C=C2)C(=O)O)C=C13894.0Semi standard non polar33892256
Tyrosyl-Tyrosine,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)N(C(CC1=CC=C(O)C=C1)C(=O)NC(CC1=CC=C(O)C=C1)C(=O)O)[Si](C)(C)C(C)(C)C3914.8Semi standard non polar33892256
Tyrosyl-Tyrosine,2TBDMS,isomer #11CC(C)(C)[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)N(C(CC1=CC=C(O)C=C1)C(=O)O)[Si](C)(C)C(C)(C)C3819.4Semi standard non polar33892256
Tyrosyl-Tyrosine,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CC=C(O)C=C1)NC(=O)C(N)CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C13812.2Semi standard non polar33892256
Tyrosyl-Tyrosine,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)NC(CC1=CC=C(O)C=C1)C(=O)O3844.2Semi standard non polar33892256
Tyrosyl-Tyrosine,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1=CC=C(CC(N)C(=O)N(C(CC2=CC=C(O)C=C2)C(=O)O)[Si](C)(C)C(C)(C)C)C=C13820.6Semi standard non polar33892256
Tyrosyl-Tyrosine,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)NC(=O)C(N)CC1=CC=C(O)C=C13811.1Semi standard non polar33892256
Tyrosyl-Tyrosine,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)O3842.7Semi standard non polar33892256
Tyrosyl-Tyrosine,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC1=CC=C(CC(C(=O)O)N(C(=O)C(N)CC2=CC=C(O)C=C2)[Si](C)(C)C(C)(C)C)C=C13817.4Semi standard non polar33892256
Tyrosyl-Tyrosine,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)NC(CC1=CC=C(O)C=C1)C(=O)O[Si](C)(C)C(C)(C)C3787.1Semi standard non polar33892256
Tyrosyl-Tyrosine,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CC=C(O)C=C1)N(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C3773.3Semi standard non polar33892256
Tyrosyl-Tyrosine,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)NC(=O)C(N)CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C14081.2Semi standard non polar33892256
Tyrosyl-Tyrosine,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC1=CC=C(CC(NC(=O)C(CC2=CC=C(O)C=C2)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)C=C14145.3Semi standard non polar33892256
Tyrosyl-Tyrosine,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)N(C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)O)[Si](C)(C)C(C)(C)C4011.7Semi standard non polar33892256
Tyrosyl-Tyrosine,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CC=C(O)C=C1)NC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4056.2Semi standard non polar33892256
Tyrosyl-Tyrosine,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)N(C(CC1=CC=C(O)C=C1)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3900.0Semi standard non polar33892256
Tyrosyl-Tyrosine,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)N(C(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(CC1=CC=C(O)C=C1)C(=O)O4075.7Semi standard non polar33892256
Tyrosyl-Tyrosine,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)O4119.0Semi standard non polar33892256
Tyrosyl-Tyrosine,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1=CC=C(CC(N)C(=O)N(C(CC2=CC=C(O[Si](C)(C)C(C)(C)C)C=C2)C(=O)O)[Si](C)(C)C(C)(C)C)C=C14100.9Semi standard non polar33892256
Tyrosyl-Tyrosine,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)NC(CC1=CC=C(O)C=C1)C(=O)O[Si](C)(C)C(C)(C)C3952.0Semi standard non polar33892256
Tyrosyl-Tyrosine,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CC=C(O)C=C1)N(C(=O)C(N)CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C3944.8Semi standard non polar33892256
Tyrosyl-Tyrosine,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC1=CC=C(CC(C(=O)NC(CC2=CC=C(O)C=C2)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C14146.1Semi standard non polar33892256
Tyrosyl-Tyrosine,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)N(C(CC1=CC=C(O)C=C1)C(=O)O)[Si](C)(C)C(C)(C)C4009.2Semi standard non polar33892256
Tyrosyl-Tyrosine,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)O[Si](C)(C)C(C)(C)C3947.4Semi standard non polar33892256
Tyrosyl-Tyrosine,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)N(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C3947.0Semi standard non polar33892256
Tyrosyl-Tyrosine,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)O[Si](C)(C)C(C)(C)C4229.5Semi standard non polar33892256
Tyrosyl-Tyrosine,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)O[Si](C)(C)C(C)(C)C3666.5Standard non polar33892256
Tyrosyl-Tyrosine,4TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC1=CC=C(CC(C(=O)O)N(C(=O)C(CC2=CC=C(O)C=C2)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C14322.3Semi standard non polar33892256
Tyrosyl-Tyrosine,4TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC1=CC=C(CC(C(=O)O)N(C(=O)C(CC2=CC=C(O)C=C2)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C13821.7Standard non polar33892256
Tyrosyl-Tyrosine,4TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CC=C(O)C=C1)N(C(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4221.2Semi standard non polar33892256
Tyrosyl-Tyrosine,4TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CC=C(O)C=C1)N(C(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3847.5Standard non polar33892256
Tyrosyl-Tyrosine,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)N(C(=O)C(N)CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C4272.8Semi standard non polar33892256
Tyrosyl-Tyrosine,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)N(C(=O)C(N)CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C3631.6Standard non polar33892256
Tyrosyl-Tyrosine,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1=CC=C(CC(NC(=O)C(CC2=CC=C(O[Si](C)(C)C(C)(C)C)C=C2)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)C=C14438.2Semi standard non polar33892256
Tyrosyl-Tyrosine,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1=CC=C(CC(NC(=O)C(CC2=CC=C(O[Si](C)(C)C(C)(C)C)C=C2)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)C=C13756.2Standard non polar33892256
Tyrosyl-Tyrosine,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)N(C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)O)[Si](C)(C)C(C)(C)C4301.5Semi standard non polar33892256
Tyrosyl-Tyrosine,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)N(C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)O)[Si](C)(C)C(C)(C)C3714.1Standard non polar33892256
Tyrosyl-Tyrosine,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CC=C(O)C=C1)NC(=O)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4289.8Semi standard non polar33892256
Tyrosyl-Tyrosine,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CC=C(O)C=C1)NC(=O)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3759.1Standard non polar33892256
Tyrosyl-Tyrosine,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)N(C(CC1=CC=C(O)C=C1)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4108.2Semi standard non polar33892256
Tyrosyl-Tyrosine,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)N(C(CC1=CC=C(O)C=C1)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3735.2Standard non polar33892256
Tyrosyl-Tyrosine,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC1=CC=C(CC(C(=O)N(C(CC2=CC=C(O)C=C2)C(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C14320.0Semi standard non polar33892256
Tyrosyl-Tyrosine,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC1=CC=C(CC(C(=O)N(C(CC2=CC=C(O)C=C2)C(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C13820.9Standard non polar33892256
Tyrosyl-Tyrosine,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)NC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4284.2Semi standard non polar33892256
Tyrosyl-Tyrosine,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)NC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3763.8Standard non polar33892256
Tyrosyl-Tyrosine,4TBDMS,isomer #9CC(C)(C)[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)N(C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4108.6Semi standard non polar33892256
Tyrosyl-Tyrosine,4TBDMS,isomer #9CC(C)(C)[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)N(C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3734.7Standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Tyrosyl-Tyrosine GC-MS (Non-derivatized) - 70eV, Positivesplash10-029i-3920000000-28e47308caa8736261952017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Tyrosyl-Tyrosine GC-MS (3 TMS) - 70eV, Positivesplash10-052b-5794880000-8157215b79153ab0599f2017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Tyrosyl-Tyrosine GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Tyrosyl-Tyrosine GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Tyrosyl-Tyrosine GC-MS (TMS_1_1) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Tyrosyl-Tyrosine GC-MS (TMS_1_2) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Tyrosyl-Tyrosine GC-MS (TMS_1_3) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Tyrosyl-Tyrosine GC-MS (TMS_1_4) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Tyrosyl-Tyrosine GC-MS (TMS_1_5) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Tyrosyl-Tyrosine GC-MS (TMS_2_1) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Tyrosyl-Tyrosine GC-MS (TMS_2_2) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Tyrosyl-Tyrosine GC-MS (TMS_2_3) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Tyrosyl-Tyrosine GC-MS (TMS_2_4) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Tyrosyl-Tyrosine GC-MS (TMS_2_5) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Tyrosyl-Tyrosine GC-MS (TMS_2_6) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Tyrosyl-Tyrosine GC-MS (TMS_2_7) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Tyrosyl-Tyrosine GC-MS (TMS_2_8) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Tyrosyl-Tyrosine GC-MS (TMS_2_9) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Tyrosyl-Tyrosine GC-MS (TMS_2_10) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Tyrosyl-Tyrosine GC-MS (TMS_2_11) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Tyrosyl-Tyrosine GC-MS (TMS_3_2) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Tyrosyl-Tyrosine GC-MS (TMS_3_3) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Tyrosyl-Tyrosine GC-MS (TMS_3_4) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Tyrosyl-Tyrosine GC-MS (TMS_3_5) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Tyrosyl-Tyrosine GC-MS (TMS_3_6) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Tyrosyl-Tyrosine 10V, Positive-QTOFsplash10-002k-0729000000-3ebd834cab0b4144f75b2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Tyrosyl-Tyrosine 20V, Positive-QTOFsplash10-00kr-0910000000-f98f7619e7da69c01fbe2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Tyrosyl-Tyrosine 40V, Positive-QTOFsplash10-0aor-1900000000-ece881f0560685e496552017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Tyrosyl-Tyrosine 10V, Negative-QTOFsplash10-0006-0139000000-f1a292ef38364e02b72d2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Tyrosyl-Tyrosine 20V, Negative-QTOFsplash10-01sd-1974000000-be4e5f76e489c38e65a72017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Tyrosyl-Tyrosine 40V, Negative-QTOFsplash10-06z9-4910000000-1fc0f36be40946f7a7c92017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Tyrosyl-Tyrosine 10V, Negative-QTOFsplash10-000x-0918000000-8afb240c45522cd8cd122021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Tyrosyl-Tyrosine 20V, Negative-QTOFsplash10-06si-1911000000-98d5454d209103c9387e2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Tyrosyl-Tyrosine 40V, Negative-QTOFsplash10-00r6-5910000000-3d3347acb336a48aa7172021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Tyrosyl-Tyrosine 10V, Positive-QTOFsplash10-000b-0819000000-70c5f200c8460786d1512021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Tyrosyl-Tyrosine 20V, Positive-QTOFsplash10-052r-0900000000-d951f21e935b2ca27e6d2021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Tyrosyl-Tyrosine 40V, Positive-QTOFsplash10-0avm-3900000000-f304370e025956f3133f2021-09-23Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Feces
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Normal
details
Abnormal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Colorectal cancer
details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Colorectal cancer
details
Associated Disorders and Diseases
Disease References
Colorectal cancer
  1. Sinha R, Ahn J, Sampson JN, Shi J, Yu G, Xiong X, Hayes RB, Goedert JJ: Fecal Microbiota, Fecal Metabolome, and Colorectal Cancer Interrelations. PLoS One. 2016 Mar 25;11(3):e0152126. doi: 10.1371/journal.pone.0152126. eCollection 2016. [PubMed:27015276 ]
  2. Goedert JJ, Sampson JN, Moore SC, Xiao Q, Xiong X, Hayes RB, Ahn J, Shi J, Sinha R: Fecal metabolomics: assay performance and association with colorectal cancer. Carcinogenesis. 2014 Sep;35(9):2089-96. doi: 10.1093/carcin/bgu131. Epub 2014 Jul 18. [PubMed:25037050 ]
Associated OMIM IDs
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB112120
KNApSAcK IDNot Available
Chemspider ID4234749
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem CompoundNot Available
PDB IDNot Available
ChEBI ID60987
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Kardys I, de Maat MP, Klaver CC, Despriet DD, Uitterlinden AG, Hofman A, de Jong PT, Witteman JC: Usefulness of combining complement factor H and C-reactive protein genetic profiles for predicting myocardial infarction (from the Rotterdam Study). Am J Cardiol. 2007 Aug 15;100(4):646-8. Epub 2007 Jun 26. [PubMed:17697822 ]
  2. Hirota S, Okumura H, Kuroiwa S, Funasaki N, Watanabe Y: Reduction of ferricytochrome c by tyrosyltyrosylphenylalanine. J Biol Inorg Chem. 2005 Jun;10(4):355-63. Epub 2005 May 3. [PubMed:15868183 ]
  3. Miele R, Lattanzi R, Bonaccorsi di Patti MC, Paiardini A, Negri L, Barra D: Expression of Bv8 in Pichia pastoris to identify structural features for receptor binding. Protein Expr Purif. 2010 Sep;73(1):10-4. doi: 10.1016/j.pep.2010.04.012. Epub 2010 Apr 19. [PubMed:20412858 ]
  4. Huang WY, Chatterjee N, Chanock S, Dean M, Yeager M, Schoen RE, Hou LF, Berndt SI, Yadavalli S, Johnson CC, Hayes RB: Microsomal epoxide hydrolase polymorphisms and risk for advanced colorectal adenoma. Cancer Epidemiol Biomarkers Prev. 2005 Jan;14(1):152-7. [PubMed:15668489 ]