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Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2012-09-06 21:03:55 UTC
Update Date2022-09-22 18:34:23 UTC
HMDB IDHMDB0029156
Secondary Accession Numbers
  • HMDB0028826
  • HMDB28826
  • HMDB29156
Metabolite Identification
Common NameGlutamylphenylalanine
DescriptionGlutamylphenylalanine is a dipeptide composed of glutamate and phenylalanine, and is a proteolytic breakdown product of larger proteins. It belongs to the family of N-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. Glutamylphenylalanine 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.
Structure
Data?1582753381
Synonyms
ValueSource
α-Glu-PheHMDB
α-L-Glu-L-PheHMDB
α-GlutamylphenylalanineHMDB
α-L-Glutamyl-L-phenylalanineHMDB
L-α-Glutamyl-L-phenylalanineHMDB
N-α-GlutamylphenylalanineHMDB
N-α-L-Glutamyl-L-phenylalanineHMDB
N-L-α-GlutamylphenylalanineHMDB
N-L-α-Glutamyl-L-phenylalanineHMDB
alpha-Glu-PheHMDB
alpha-L-Glu-L-PheHMDB
alpha-GlutamylphenylalanineHMDB
alpha-L-Glutamyl-L-phenylalanineHMDB
L-alpha-Glutamyl-L-phenylalanineHMDB
N-alpha-GlutamylphenylalanineHMDB
N-alpha-L-Glutamyl-L-phenylalanineHMDB
N-L-alpha-GlutamylphenylalanineHMDB
N-L-alpha-Glutamyl-L-phenylalanineHMDB
4-Amino-N-(α-carboxyphenethyl)-glutaramic acidHMDB
4-Amino-N-(alpha-carboxyphenethyl)-glutaramic acidHMDB
GlutamylphenylalanineHMDB
Glu-PheHMDB
L-Glu-L-PheHMDB
L-Glutamyl-L-phenylalanineHMDB
N-GlutamylphenylalanineHMDB
N-L-Glutamyl-L-phenylalanineHMDB
Glutamyl-phenylalanineHMDB
Glutamic acid phenylalanine dipeptideHMDB
Glutamate phenylalanine dipeptideHMDB
Glutamic acid-phenylalanine dipeptideHMDB
Glutamate-phenylalanine dipeptideHMDB
E-F dipeptideHMDB
EF dipeptideHMDB
(4S)-4-Amino-4-{[(1S)-1-carboxy-2-phenylethyl]-C-hydroxycarbonimidoyl}butanoateGenerator
Chemical FormulaC14H18N2O5
Average Molecular Weight294.307
Monoisotopic Molecular Weight294.121571688
IUPAC Name(4S)-4-amino-4-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}butanoic acid
Traditional Nameglutamylphenylalanine
CAS Registry Number20556-22-3
SMILES
N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1=CC=CC=C1)C(O)=O
InChI Identifier
InChI=1S/C14H18N2O5/c15-10(6-7-12(17)18)13(19)16-11(14(20)21)8-9-4-2-1-3-5-9/h1-5,10-11H,6-8,15H2,(H,16,19)(H,17,18)(H,20,21)/t10-,11-/m0/s1
InChI KeyXMBSYZWANAQXEV-QWRGUYRKSA-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
  • Phenylalanine or derivatives
  • Glutamic acid or derivatives
  • N-acyl-alpha-amino acid
  • N-acyl-alpha amino acid or derivatives
  • N-acyl-l-alpha-amino acid
  • Alpha-amino acid amide
  • 3-phenylpropanoic-acid
  • Alpha-amino acid or derivatives
  • Amphetamine or derivatives
  • Amino fatty acid
  • Fatty amide
  • Dicarboxylic acid or derivatives
  • N-acyl-amine
  • Fatty acyl
  • Monocyclic benzene moiety
  • Benzenoid
  • Carboxamide group
  • Amino acid or derivatives
  • Amino acid
  • Secondary carboxylic acid amide
  • Carboxylic acid
  • Organic nitrogen compound
  • Primary aliphatic amine
  • Organonitrogen compound
  • Organooxygen compound
  • Carbonyl group
  • Primary amine
  • Hydrocarbon derivative
  • Organic oxide
  • Organopnictogen compound
  • Amine
  • Organic oxygen compound
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
DispositionNot Available
ProcessNot Available
RoleNot Available
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogP-2.81Extrapolated
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility0.22 g/LALOGPS
logP-2.2ALOGPS
logP-2.4ChemAxon
logS-2.7ALOGPS
pKa (Strongest Acidic)3.33ChemAxon
pKa (Strongest Basic)8.45ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area129.72 ŲChemAxon
Rotatable Bond Count8ChemAxon
Refractivity73.2 m³·mol⁻¹ChemAxon
Polarizability29.03 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DeepCCS[M+H]+166.98530932474
DeepCCS[M-H]-164.62730932474
DeepCCS[M-2H]-197.9730932474
DeepCCS[M+Na]+173.19830932474
AllCCS[M+H]+166.832859911
AllCCS[M+H-H2O]+163.832859911
AllCCS[M+NH4]+169.732859911
AllCCS[M+Na]+170.532859911
AllCCS[M-H]-167.732859911
AllCCS[M+Na-2H]-167.932859911
AllCCS[M+HCOO]-168.232859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
GlutamylphenylalanineN[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1=CC=CC=C1)C(O)=O4083.2Standard polar33892256
GlutamylphenylalanineN[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1=CC=CC=C1)C(O)=O2262.1Standard non polar33892256
GlutamylphenylalanineN[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1=CC=CC=C1)C(O)=O2742.1Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Glutamylphenylalanine,1TMS,isomer #1C[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O2611.2Semi standard non polar33892256
Glutamylphenylalanine,1TMS,isomer #2C[Si](C)(C)OC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H](N)CCC(=O)O2576.4Semi standard non polar33892256
Glutamylphenylalanine,1TMS,isomer #3C[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O2645.1Semi standard non polar33892256
Glutamylphenylalanine,1TMS,isomer #4C[Si](C)(C)N(C(=O)[C@@H](N)CCC(=O)O)[C@@H](CC1=CC=CC=C1)C(=O)O2557.0Semi standard non polar33892256
Glutamylphenylalanine,2TMS,isomer #1C[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O[Si](C)(C)C2544.0Semi standard non polar33892256
Glutamylphenylalanine,2TMS,isomer #2C[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O2622.4Semi standard non polar33892256
Glutamylphenylalanine,2TMS,isomer #3C[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N([C@@H](CC1=CC=CC=C1)C(=O)O)[Si](C)(C)C2524.6Semi standard non polar33892256
Glutamylphenylalanine,2TMS,isomer #4C[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O[Si](C)(C)C2611.9Semi standard non polar33892256
Glutamylphenylalanine,2TMS,isomer #5C[Si](C)(C)OC(=O)[C@H](CC1=CC=CC=C1)N(C(=O)[C@@H](N)CCC(=O)O)[Si](C)(C)C2523.0Semi standard non polar33892256
Glutamylphenylalanine,2TMS,isomer #6C[Si](C)(C)N([C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O)[Si](C)(C)C2755.7Semi standard non polar33892256
Glutamylphenylalanine,2TMS,isomer #7C[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N([C@@H](CC1=CC=CC=C1)C(=O)O)[Si](C)(C)C2591.0Semi standard non polar33892256
Glutamylphenylalanine,3TMS,isomer #1C[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O[Si](C)(C)C2582.9Semi standard non polar33892256
Glutamylphenylalanine,3TMS,isomer #1C[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O[Si](C)(C)C2570.6Standard non polar33892256
Glutamylphenylalanine,3TMS,isomer #2C[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N([C@@H](CC1=CC=CC=C1)C(=O)O[Si](C)(C)C)[Si](C)(C)C2483.5Semi standard non polar33892256
Glutamylphenylalanine,3TMS,isomer #2C[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N([C@@H](CC1=CC=CC=C1)C(=O)O[Si](C)(C)C)[Si](C)(C)C2539.9Standard non polar33892256
Glutamylphenylalanine,3TMS,isomer #3C[Si](C)(C)OC(=O)CC[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C2725.8Semi standard non polar33892256
Glutamylphenylalanine,3TMS,isomer #3C[Si](C)(C)OC(=O)CC[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C2662.6Standard non polar33892256
Glutamylphenylalanine,3TMS,isomer #4C[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)N([C@@H](CC1=CC=CC=C1)C(=O)O)[Si](C)(C)C2568.9Semi standard non polar33892256
Glutamylphenylalanine,3TMS,isomer #4C[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)N([C@@H](CC1=CC=CC=C1)C(=O)O)[Si](C)(C)C2628.7Standard non polar33892256
Glutamylphenylalanine,3TMS,isomer #5C[Si](C)(C)OC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C2712.5Semi standard non polar33892256
Glutamylphenylalanine,3TMS,isomer #5C[Si](C)(C)OC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C2662.5Standard non polar33892256
Glutamylphenylalanine,3TMS,isomer #6C[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N([C@@H](CC1=CC=CC=C1)C(=O)O[Si](C)(C)C)[Si](C)(C)C2565.2Semi standard non polar33892256
Glutamylphenylalanine,3TMS,isomer #6C[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N([C@@H](CC1=CC=CC=C1)C(=O)O[Si](C)(C)C)[Si](C)(C)C2613.3Standard non polar33892256
Glutamylphenylalanine,3TMS,isomer #7C[Si](C)(C)N(C(=O)[C@H](CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CC1=CC=CC=C1)C(=O)O2687.6Semi standard non polar33892256
Glutamylphenylalanine,3TMS,isomer #7C[Si](C)(C)N(C(=O)[C@H](CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CC1=CC=CC=C1)C(=O)O2704.0Standard non polar33892256
Glutamylphenylalanine,4TMS,isomer #1C[Si](C)(C)OC(=O)CC[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2700.5Semi standard non polar33892256
Glutamylphenylalanine,4TMS,isomer #1C[Si](C)(C)OC(=O)CC[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2688.4Standard non polar33892256
Glutamylphenylalanine,4TMS,isomer #2C[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)N([C@@H](CC1=CC=CC=C1)C(=O)O[Si](C)(C)C)[Si](C)(C)C2543.3Semi standard non polar33892256
Glutamylphenylalanine,4TMS,isomer #2C[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)N([C@@H](CC1=CC=CC=C1)C(=O)O[Si](C)(C)C)[Si](C)(C)C2636.1Standard non polar33892256
Glutamylphenylalanine,4TMS,isomer #3C[Si](C)(C)OC(=O)CC[C@@H](C(=O)N([C@@H](CC1=CC=CC=C1)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2700.1Semi standard non polar33892256
Glutamylphenylalanine,4TMS,isomer #3C[Si](C)(C)OC(=O)CC[C@@H](C(=O)N([C@@H](CC1=CC=CC=C1)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2736.5Standard non polar33892256
Glutamylphenylalanine,4TMS,isomer #4C[Si](C)(C)OC(=O)[C@H](CC1=CC=CC=C1)N(C(=O)[C@H](CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2708.2Semi standard non polar33892256
Glutamylphenylalanine,4TMS,isomer #4C[Si](C)(C)OC(=O)[C@H](CC1=CC=CC=C1)N(C(=O)[C@H](CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2716.1Standard non polar33892256
Glutamylphenylalanine,5TMS,isomer #1C[Si](C)(C)OC(=O)CC[C@@H](C(=O)N([C@@H](CC1=CC=CC=C1)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2757.0Semi standard non polar33892256
Glutamylphenylalanine,5TMS,isomer #1C[Si](C)(C)OC(=O)CC[C@@H](C(=O)N([C@@H](CC1=CC=CC=C1)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2749.9Standard non polar33892256
Glutamylphenylalanine,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O2859.1Semi standard non polar33892256
Glutamylphenylalanine,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H](N)CCC(=O)O2825.7Semi standard non polar33892256
Glutamylphenylalanine,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O2850.9Semi standard non polar33892256
Glutamylphenylalanine,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)N(C(=O)[C@@H](N)CCC(=O)O)[C@@H](CC1=CC=CC=C1)C(=O)O2801.7Semi standard non polar33892256
Glutamylphenylalanine,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O[Si](C)(C)C(C)(C)C3040.7Semi standard non polar33892256
Glutamylphenylalanine,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O3073.3Semi standard non polar33892256
Glutamylphenylalanine,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N([C@@H](CC1=CC=CC=C1)C(=O)O)[Si](C)(C)C(C)(C)C3038.9Semi standard non polar33892256
Glutamylphenylalanine,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O[Si](C)(C)C(C)(C)C3042.0Semi standard non polar33892256
Glutamylphenylalanine,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CC=CC=C1)N(C(=O)[C@@H](N)CCC(=O)O)[Si](C)(C)C(C)(C)C3027.9Semi standard non polar33892256
Glutamylphenylalanine,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)N([C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O)[Si](C)(C)C(C)(C)C3194.6Semi standard non polar33892256
Glutamylphenylalanine,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N([C@@H](CC1=CC=CC=C1)C(=O)O)[Si](C)(C)C(C)(C)C3051.0Semi standard non polar33892256
Glutamylphenylalanine,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O[Si](C)(C)C(C)(C)C3245.8Semi standard non polar33892256
Glutamylphenylalanine,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O[Si](C)(C)C(C)(C)C3118.1Standard non polar33892256
Glutamylphenylalanine,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N([C@@H](CC1=CC=CC=C1)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3228.3Semi standard non polar33892256
Glutamylphenylalanine,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N([C@@H](CC1=CC=CC=C1)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3099.1Standard non polar33892256
Glutamylphenylalanine,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3447.2Semi standard non polar33892256
Glutamylphenylalanine,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3172.3Standard non polar33892256
Glutamylphenylalanine,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CC1=CC=CC=C1)C(=O)O)[Si](C)(C)C(C)(C)C3280.5Semi standard non polar33892256
Glutamylphenylalanine,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CC1=CC=CC=C1)C(=O)O)[Si](C)(C)C(C)(C)C3134.1Standard non polar33892256
Glutamylphenylalanine,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3421.2Semi standard non polar33892256
Glutamylphenylalanine,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3163.9Standard non polar33892256
Glutamylphenylalanine,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N([C@@H](CC1=CC=CC=C1)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3261.6Semi standard non polar33892256
Glutamylphenylalanine,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N([C@@H](CC1=CC=CC=C1)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3120.4Standard non polar33892256
Glutamylphenylalanine,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)N(C(=O)[C@H](CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](CC1=CC=CC=C1)C(=O)O3400.1Semi standard non polar33892256
Glutamylphenylalanine,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)N(C(=O)[C@H](CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](CC1=CC=CC=C1)C(=O)O3192.2Standard non polar33892256
Glutamylphenylalanine,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3618.3Semi standard non polar33892256
Glutamylphenylalanine,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3341.3Standard non polar33892256
Glutamylphenylalanine,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CC1=CC=CC=C1)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3429.0Semi standard non polar33892256
Glutamylphenylalanine,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CC1=CC=CC=C1)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3293.2Standard non polar33892256
Glutamylphenylalanine,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)N([C@@H](CC1=CC=CC=C1)C(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3616.9Semi standard non polar33892256
Glutamylphenylalanine,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)N([C@@H](CC1=CC=CC=C1)C(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3371.9Standard non polar33892256
Glutamylphenylalanine,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CC=CC=C1)N(C(=O)[C@H](CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3605.7Semi standard non polar33892256
Glutamylphenylalanine,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CC=CC=C1)N(C(=O)[C@H](CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3357.3Standard non polar33892256
Glutamylphenylalanine,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)N([C@@H](CC1=CC=CC=C1)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3790.2Semi standard non polar33892256
Glutamylphenylalanine,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)N([C@@H](CC1=CC=CC=C1)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3524.3Standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Glutamyl-Phenylalanine GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glutamylphenylalanine 10V, Positive-QTOFsplash10-004j-1290000000-6e7a89e0ccf962fb5e2f2019-02-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glutamylphenylalanine 20V, Positive-QTOFsplash10-0v4r-7950000000-6c8690dfd7caca35021c2019-02-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glutamylphenylalanine 40V, Positive-QTOFsplash10-0a4l-9100000000-a0615d4fefd879e5ecdd2019-02-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glutamylphenylalanine 10V, Negative-QTOFsplash10-0006-0090000000-555568e3635280fb2f882019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glutamylphenylalanine 20V, Negative-QTOFsplash10-01r5-1690000000-071b51f05fbd44ebf0ab2019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glutamylphenylalanine 40V, Negative-QTOFsplash10-024l-6900000000-1519412911f76dca73cd2019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glutamylphenylalanine 10V, Negative-QTOFsplash10-0006-0690000000-19f7e6715ce7f7db424f2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glutamylphenylalanine 20V, Negative-QTOFsplash10-0h01-2920000000-d66278578b846b697d722021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glutamylphenylalanine 40V, Negative-QTOFsplash10-0fr7-8900000000-5047d98ff9fd1a7a96d12021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glutamylphenylalanine 10V, Positive-QTOFsplash10-00r2-0960000000-2006e59b0fce891a19682021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glutamylphenylalanine 20V, Positive-QTOFsplash10-0089-9500000000-708d0b33dbe706710bc32021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glutamylphenylalanine 40V, Positive-QTOFsplash10-0a4i-9200000000-994612eebdd664c996e32021-09-22Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Blood
  • Urine
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodExpected but not QuantifiedNot QuantifiedNot SpecifiedNot SpecifiedCancer patients undergoing total body irradiation details
UrineDetected but not QuantifiedNot QuantifiedNot SpecifiedNot SpecifiedCancer patients undergoing total body irradiation details
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB112370
KNApSAcK IDNot Available
Chemspider ID18724667
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound18653118
PDB IDNot Available
ChEBI IDNot Available
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 ReferencesNot Available