Hmdb loader
Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-06 21:03:56 UTC
Update Date2021-09-14 15:41:43 UTC
HMDB IDHMDB0029158
Secondary Accession Numbers
  • HMDB29158
Metabolite Identification
Common Namegamma-Glutamylserine
Descriptiongamma-Glutamylserine is a dipeptide composed of gamma-glutamate and serine, 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. gamma-Glutamylserine 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?1582753382
Synonyms
ValueSource
g-GlutamylserineGenerator
Γ-glutamylserineGenerator
gamma-Glutamate serine dipeptideHMDB
gamma-Glutamate-serine dipeptideHMDB
GE-S dipeptideHMDB
GES dipeptideHMDB
GGlu-serHMDB
L-gamma-Glutamyl-L-serineHMDB
Γ-glu-serHMDB
Γ-L-glu-L-serHMDB
Γ-L-glutamyl-L-serineHMDB
L-Γ-glutamyl-L-serineHMDB
N-Γ-glutamylserineHMDB
N-L-Γ-glutamylserineHMDB
N-L-Γ-glutamyl-L-serineHMDB
gamma-Glu-serHMDB
gamma-L-Glu-L-serHMDB
gamma-L-Glutamyl-L-serineHMDB
N-gamma-GlutamylserineHMDB
N-L-gamma-GlutamylserineHMDB
N-L-gamma-Glutamyl-L-serineHMDB
N-Γ-L-glutamyl-L-serineHMDB
N-gamma-L-Glutamyl-L-serineHMDB
(2S)-2-Amino-4-{[(1S)-1-carboxy-2-hydroxyethyl]-C-hydroxycarbonimidoyl}butanoateHMDB
gamma-GlutamylserineHMDB
Chemical FormulaC8H14N2O6
Average Molecular Weight234.208
Monoisotopic Molecular Weight234.085186179
IUPAC Name(2S)-2-amino-4-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}butanoic acid
Traditional Name(2S)-2-amino-4-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}butanoic acid
CAS Registry Number5875-35-4
SMILES
N[C@@H](CCC(=O)N[C@@H](CO)C(O)=O)C(O)=O
InChI Identifier
InChI=1S/C8H14N2O6/c9-4(7(13)14)1-2-6(12)10-5(3-11)8(15)16/h4-5,11H,1-3,9H2,(H,10,12)(H,13,14)(H,15,16)/t4-,5-/m0/s1
InChI KeySQBNIUOYNOKDTI-WHFBIAKZSA-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
  • Gamma-glutamyl alpha-amino acid
  • Glutamine or derivatives
  • N-acyl-alpha-amino acid
  • N-acyl-alpha amino acid or derivatives
  • N-acyl-l-alpha-amino acid
  • Serine or derivatives
  • Alpha-amino acid
  • Alpha-amino acid or derivatives
  • L-alpha-amino acid
  • Beta-hydroxy acid
  • Hydroxy acid
  • Fatty acyl
  • Fatty acid
  • Dicarboxylic acid or derivatives
  • Fatty amide
  • N-acyl-amine
  • Secondary carboxylic acid amide
  • Amino acid or derivatives
  • Carboxamide group
  • Amino acid
  • Carboxylic acid
  • Alcohol
  • Primary aliphatic amine
  • Organonitrogen compound
  • Organooxygen compound
  • Primary alcohol
  • Primary amine
  • Hydrocarbon derivative
  • Carbonyl group
  • Organic oxide
  • Organopnictogen compound
  • Amine
  • Organic oxygen compound
  • Organic nitrogen compound
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External DescriptorsNot Available
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-5.73Extrapolated
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility20.2 g/LALOGPS
logP-3.6ALOGPS
logP-4.9ChemAxon
logS-1ALOGPS
pKa (Strongest Acidic)1.8ChemAxon
pKa (Strongest Basic)9.31ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area149.95 ŲChemAxon
Rotatable Bond Count7ChemAxon
Refractivity50.13 m³·mol⁻¹ChemAxon
Polarizability21.41 ųChemAxon
Number of Rings0ChemAxon
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]+151.3730932474
DeepCCS[M-H]-148.97530932474
DeepCCS[M-2H]-182.00830932474
DeepCCS[M+Na]+157.41630932474
AllCCS[M+H]+150.232859911
AllCCS[M+H-H2O]+146.832859911
AllCCS[M+NH4]+153.332859911
AllCCS[M+Na]+154.232859911
AllCCS[M-H]-147.732859911
AllCCS[M+Na-2H]-148.232859911
AllCCS[M+HCOO]-148.932859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
gamma-GlutamylserineN[C@@H](CCC(=O)N[C@@H](CO)C(O)=O)C(O)=O3161.8Standard polar33892256
gamma-GlutamylserineN[C@@H](CCC(=O)N[C@@H](CO)C(O)=O)C(O)=O1892.6Standard non polar33892256
gamma-GlutamylserineN[C@@H](CCC(=O)N[C@@H](CO)C(O)=O)C(O)=O2479.4Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
gamma-Glutamylserine,1TMS,isomer #1C[Si](C)(C)OC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)O2187.6Semi standard non polar33892256
gamma-Glutamylserine,1TMS,isomer #2C[Si](C)(C)OC(=O)[C@H](CO)NC(=O)CC[C@H](N)C(=O)O2176.5Semi standard non polar33892256
gamma-Glutamylserine,1TMS,isomer #3C[Si](C)(C)OC(=O)[C@@H](N)CCC(=O)N[C@@H](CO)C(=O)O2158.8Semi standard non polar33892256
gamma-Glutamylserine,1TMS,isomer #4C[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CO)C(=O)O)C(=O)O2238.0Semi standard non polar33892256
gamma-Glutamylserine,1TMS,isomer #5C[Si](C)(C)N(C(=O)CC[C@H](N)C(=O)O)[C@@H](CO)C(=O)O2189.1Semi standard non polar33892256
gamma-Glutamylserine,2TMS,isomer #1C[Si](C)(C)OC[C@H](NC(=O)CC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O2148.6Semi standard non polar33892256
gamma-Glutamylserine,2TMS,isomer #10C[Si](C)(C)N([C@@H](CCC(=O)N[C@@H](CO)C(=O)O)C(=O)O)[Si](C)(C)C2369.7Semi standard non polar33892256
gamma-Glutamylserine,2TMS,isomer #11C[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CO)C(=O)O)[Si](C)(C)C)C(=O)O2243.1Semi standard non polar33892256
gamma-Glutamylserine,2TMS,isomer #2C[Si](C)(C)OC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)O[Si](C)(C)C2157.8Semi standard non polar33892256
gamma-Glutamylserine,2TMS,isomer #3C[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CO[Si](C)(C)C)C(=O)O)C(=O)O2240.8Semi standard non polar33892256
gamma-Glutamylserine,2TMS,isomer #4C[Si](C)(C)OC[C@@H](C(=O)O)N(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C2203.7Semi standard non polar33892256
gamma-Glutamylserine,2TMS,isomer #5C[Si](C)(C)OC(=O)[C@@H](N)CCC(=O)N[C@@H](CO)C(=O)O[Si](C)(C)C2162.3Semi standard non polar33892256
gamma-Glutamylserine,2TMS,isomer #6C[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CO)C(=O)O[Si](C)(C)C)C(=O)O2252.9Semi standard non polar33892256
gamma-Glutamylserine,2TMS,isomer #7C[Si](C)(C)OC(=O)[C@H](CO)N(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C2180.8Semi standard non polar33892256
gamma-Glutamylserine,2TMS,isomer #8C[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CO)C(=O)O)C(=O)O[Si](C)(C)C2242.9Semi standard non polar33892256
gamma-Glutamylserine,2TMS,isomer #9C[Si](C)(C)OC(=O)[C@@H](N)CCC(=O)N([C@@H](CO)C(=O)O)[Si](C)(C)C2148.7Semi standard non polar33892256
gamma-Glutamylserine,3TMS,isomer #1C[Si](C)(C)OC[C@H](NC(=O)CC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C2163.5Semi standard non polar33892256
gamma-Glutamylserine,3TMS,isomer #10C[Si](C)(C)OC(=O)[C@H](CO)NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C2384.0Semi standard non polar33892256
gamma-Glutamylserine,3TMS,isomer #11C[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CO)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O2232.8Semi standard non polar33892256
gamma-Glutamylserine,3TMS,isomer #12C[Si](C)(C)OC(=O)[C@H](CCC(=O)N[C@@H](CO)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C2384.5Semi standard non polar33892256
gamma-Glutamylserine,3TMS,isomer #13C[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CO)C(=O)O)[Si](C)(C)C)C(=O)O[Si](C)(C)C2212.2Semi standard non polar33892256
gamma-Glutamylserine,3TMS,isomer #14C[Si](C)(C)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CO)C(=O)O2326.8Semi standard non polar33892256
gamma-Glutamylserine,3TMS,isomer #2C[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CO[Si](C)(C)C)C(=O)O)C(=O)O[Si](C)(C)C2255.3Semi standard non polar33892256
gamma-Glutamylserine,3TMS,isomer #3C[Si](C)(C)OC[C@@H](C(=O)O)N(C(=O)CC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C2193.9Semi standard non polar33892256
gamma-Glutamylserine,3TMS,isomer #4C[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CO[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O2249.6Semi standard non polar33892256
gamma-Glutamylserine,3TMS,isomer #5C[Si](C)(C)OC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C2212.4Semi standard non polar33892256
gamma-Glutamylserine,3TMS,isomer #6C[Si](C)(C)OC[C@H](NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O2364.8Semi standard non polar33892256
gamma-Glutamylserine,3TMS,isomer #7C[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CO[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(=O)O2264.6Semi standard non polar33892256
gamma-Glutamylserine,3TMS,isomer #8C[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CO)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C2266.7Semi standard non polar33892256
gamma-Glutamylserine,3TMS,isomer #9C[Si](C)(C)OC(=O)[C@@H](N)CCC(=O)N([C@@H](CO)C(=O)O[Si](C)(C)C)[Si](C)(C)C2186.4Semi standard non polar33892256
gamma-Glutamylserine,4TMS,isomer #1C[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CO[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C2261.5Semi standard non polar33892256
gamma-Glutamylserine,4TMS,isomer #1C[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CO[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C2271.7Standard non polar33892256
gamma-Glutamylserine,4TMS,isomer #10C[Si](C)(C)OC(=O)[C@H](CO)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2343.2Semi standard non polar33892256
gamma-Glutamylserine,4TMS,isomer #10C[Si](C)(C)OC(=O)[C@H](CO)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2390.5Standard non polar33892256
gamma-Glutamylserine,4TMS,isomer #11C[Si](C)(C)OC(=O)[C@H](CCC(=O)N([C@@H](CO)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2361.1Semi standard non polar33892256
gamma-Glutamylserine,4TMS,isomer #11C[Si](C)(C)OC(=O)[C@H](CCC(=O)N([C@@H](CO)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2385.3Standard non polar33892256
gamma-Glutamylserine,4TMS,isomer #2C[Si](C)(C)OC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)CC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C2215.1Semi standard non polar33892256
gamma-Glutamylserine,4TMS,isomer #2C[Si](C)(C)OC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)CC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C2235.7Standard non polar33892256
gamma-Glutamylserine,4TMS,isomer #3C[Si](C)(C)OC[C@H](NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O2408.6Semi standard non polar33892256
gamma-Glutamylserine,4TMS,isomer #3C[Si](C)(C)OC[C@H](NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O2344.7Standard non polar33892256
gamma-Glutamylserine,4TMS,isomer #4C[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CO[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(=O)O[Si](C)(C)C2246.6Semi standard non polar33892256
gamma-Glutamylserine,4TMS,isomer #4C[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CO[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(=O)O[Si](C)(C)C2310.5Standard non polar33892256
gamma-Glutamylserine,4TMS,isomer #5C[Si](C)(C)OC[C@H](NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2394.0Semi standard non polar33892256
gamma-Glutamylserine,4TMS,isomer #5C[Si](C)(C)OC[C@H](NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2359.6Standard non polar33892256
gamma-Glutamylserine,4TMS,isomer #6C[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CO[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O2265.6Semi standard non polar33892256
gamma-Glutamylserine,4TMS,isomer #6C[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CO[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O2287.4Standard non polar33892256
gamma-Glutamylserine,4TMS,isomer #7C[Si](C)(C)OC[C@@H](C(=O)O)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2365.3Semi standard non polar33892256
gamma-Glutamylserine,4TMS,isomer #7C[Si](C)(C)OC[C@@H](C(=O)O)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2412.0Standard non polar33892256
gamma-Glutamylserine,4TMS,isomer #8C[Si](C)(C)OC(=O)[C@H](CO)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2424.9Semi standard non polar33892256
gamma-Glutamylserine,4TMS,isomer #8C[Si](C)(C)OC(=O)[C@H](CO)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2318.9Standard non polar33892256
gamma-Glutamylserine,4TMS,isomer #9C[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CO)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2226.2Semi standard non polar33892256
gamma-Glutamylserine,4TMS,isomer #9C[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CO)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2291.2Standard non polar33892256
gamma-Glutamylserine,5TMS,isomer #1C[Si](C)(C)OC[C@H](NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2395.2Semi standard non polar33892256
gamma-Glutamylserine,5TMS,isomer #1C[Si](C)(C)OC[C@H](NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2365.3Standard non polar33892256
gamma-Glutamylserine,5TMS,isomer #2C[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CO[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2234.4Semi standard non polar33892256
gamma-Glutamylserine,5TMS,isomer #2C[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CO[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2329.7Standard non polar33892256
gamma-Glutamylserine,5TMS,isomer #3C[Si](C)(C)OC[C@@H](C(=O)O)N(C(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2407.9Semi standard non polar33892256
gamma-Glutamylserine,5TMS,isomer #3C[Si](C)(C)OC[C@@H](C(=O)O)N(C(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2411.0Standard non polar33892256
gamma-Glutamylserine,5TMS,isomer #4C[Si](C)(C)OC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2387.9Semi standard non polar33892256
gamma-Glutamylserine,5TMS,isomer #4C[Si](C)(C)OC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2412.3Standard non polar33892256
gamma-Glutamylserine,5TMS,isomer #5C[Si](C)(C)OC(=O)[C@H](CO)N(C(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2392.3Semi standard non polar33892256
gamma-Glutamylserine,5TMS,isomer #5C[Si](C)(C)OC(=O)[C@H](CO)N(C(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2396.0Standard non polar33892256
gamma-Glutamylserine,6TMS,isomer #1C[Si](C)(C)OC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2426.1Semi standard non polar33892256
gamma-Glutamylserine,6TMS,isomer #1C[Si](C)(C)OC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2429.3Standard non polar33892256
gamma-Glutamylserine,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)O2446.9Semi standard non polar33892256
gamma-Glutamylserine,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)[C@H](CO)NC(=O)CC[C@H](N)C(=O)O2443.8Semi standard non polar33892256
gamma-Glutamylserine,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCC(=O)N[C@@H](CO)C(=O)O2437.2Semi standard non polar33892256
gamma-Glutamylserine,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CO)C(=O)O)C(=O)O2505.8Semi standard non polar33892256
gamma-Glutamylserine,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)N(C(=O)CC[C@H](N)C(=O)O)[C@@H](CO)C(=O)O2457.2Semi standard non polar33892256
gamma-Glutamylserine,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@H](NC(=O)CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O2621.5Semi standard non polar33892256
gamma-Glutamylserine,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)N([C@@H](CCC(=O)N[C@@H](CO)C(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C2832.3Semi standard non polar33892256
gamma-Glutamylserine,2TBDMS,isomer #11CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CO)C(=O)O)[Si](C)(C)C(C)(C)C)C(=O)O2711.6Semi standard non polar33892256
gamma-Glutamylserine,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)O[Si](C)(C)C(C)(C)C2636.9Semi standard non polar33892256
gamma-Glutamylserine,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)O2693.4Semi standard non polar33892256
gamma-Glutamylserine,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC[C@@H](C(=O)O)N(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C2677.3Semi standard non polar33892256
gamma-Glutamylserine,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCC(=O)N[C@@H](CO)C(=O)O[Si](C)(C)C(C)(C)C2649.0Semi standard non polar33892256
gamma-Glutamylserine,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CO)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O2724.0Semi standard non polar33892256
gamma-Glutamylserine,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC(=O)[C@H](CO)N(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C2659.9Semi standard non polar33892256
gamma-Glutamylserine,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CO)C(=O)O)C(=O)O[Si](C)(C)C(C)(C)C2721.3Semi standard non polar33892256
gamma-Glutamylserine,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCC(=O)N([C@@H](CO)C(=O)O)[Si](C)(C)C(C)(C)C2649.5Semi standard non polar33892256
gamma-Glutamylserine,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@H](NC(=O)CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2857.0Semi standard non polar33892256
gamma-Glutamylserine,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC(=O)[C@H](CO)NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3067.1Semi standard non polar33892256
gamma-Glutamylserine,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CO)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O2929.3Semi standard non polar33892256
gamma-Glutamylserine,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)N[C@@H](CO)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3082.4Semi standard non polar33892256
gamma-Glutamylserine,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CO)C(=O)O)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2921.6Semi standard non polar33892256
gamma-Glutamylserine,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](CO)C(=O)O3039.5Semi standard non polar33892256
gamma-Glutamylserine,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)O[Si](C)(C)C(C)(C)C2908.6Semi standard non polar33892256
gamma-Glutamylserine,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC[C@@H](C(=O)O)N(C(=O)CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2878.1Semi standard non polar33892256
gamma-Glutamylserine,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O2912.8Semi standard non polar33892256
gamma-Glutamylserine,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C2877.5Semi standard non polar33892256
gamma-Glutamylserine,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC[C@H](NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O3046.2Semi standard non polar33892256
gamma-Glutamylserine,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)C(=O)O2936.3Semi standard non polar33892256
gamma-Glutamylserine,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CO)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2931.5Semi standard non polar33892256
gamma-Glutamylserine,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCC(=O)N([C@@H](CO)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2850.6Semi standard non polar33892256
gamma-Glutamylserine,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3111.5Semi standard non polar33892256
gamma-Glutamylserine,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2975.4Standard non polar33892256
gamma-Glutamylserine,4TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC(=O)[C@H](CO)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3262.0Semi standard non polar33892256
gamma-Glutamylserine,4TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC(=O)[C@H](CO)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3048.0Standard non polar33892256
gamma-Glutamylserine,4TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)N([C@@H](CO)C(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3276.8Semi standard non polar33892256
gamma-Glutamylserine,4TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)N([C@@H](CO)C(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3043.4Standard non polar33892256
gamma-Glutamylserine,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3062.8Semi standard non polar33892256
gamma-Glutamylserine,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2976.3Standard non polar33892256
gamma-Glutamylserine,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC[C@H](NC(=O)CC[C@@H](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(=O)O3283.3Semi standard non polar33892256
gamma-Glutamylserine,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC[C@H](NC(=O)CC[C@@H](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(=O)O3035.2Standard non polar33892256
gamma-Glutamylserine,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3118.1Semi standard non polar33892256
gamma-Glutamylserine,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2980.6Standard non polar33892256
gamma-Glutamylserine,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC[C@H](NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3275.0Semi standard non polar33892256
gamma-Glutamylserine,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC[C@H](NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3032.6Standard non polar33892256
gamma-Glutamylserine,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O3136.6Semi standard non polar33892256
gamma-Glutamylserine,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O2981.8Standard non polar33892256
gamma-Glutamylserine,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC[C@@H](C(=O)O)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3275.9Semi standard non polar33892256
gamma-Glutamylserine,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC[C@@H](C(=O)O)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3046.5Standard non polar33892256
gamma-Glutamylserine,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC(=O)[C@H](CO)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3298.4Semi standard non polar33892256
gamma-Glutamylserine,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC(=O)[C@H](CO)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3025.7Standard non polar33892256
gamma-Glutamylserine,4TBDMS,isomer #9CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CO)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3105.7Semi standard non polar33892256
gamma-Glutamylserine,4TBDMS,isomer #9CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CO)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2987.1Standard non polar33892256
gamma-Glutamylserine,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@H](NC(=O)CC[C@@H](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(=O)O[Si](C)(C)C(C)(C)C3484.2Semi standard non polar33892256
gamma-Glutamylserine,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@H](NC(=O)CC[C@@H](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(=O)O[Si](C)(C)C(C)(C)C3186.3Standard non polar33892256
gamma-Glutamylserine,5TBDMS,isomer #2CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3303.8Semi standard non polar33892256
gamma-Glutamylserine,5TBDMS,isomer #2CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3137.4Standard non polar33892256
gamma-Glutamylserine,5TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC[C@@H](C(=O)O)N(C(=O)CC[C@@H](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)[Si](C)(C)C(C)(C)C3486.4Semi standard non polar33892256
gamma-Glutamylserine,5TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC[C@@H](C(=O)O)N(C(=O)CC[C@@H](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)[Si](C)(C)C(C)(C)C3206.3Standard non polar33892256
gamma-Glutamylserine,5TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3473.2Semi standard non polar33892256
gamma-Glutamylserine,5TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3208.8Standard non polar33892256
gamma-Glutamylserine,5TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)[C@H](CO)N(C(=O)CC[C@@H](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)[Si](C)(C)C(C)(C)C3453.6Semi standard non polar33892256
gamma-Glutamylserine,5TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)[C@H](CO)N(C(=O)CC[C@@H](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)[Si](C)(C)C(C)(C)C3220.3Standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - gamma-Glutamylserine GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - gamma-Glutamylserine 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 - gamma-Glutamylserine 10V, Positive-QTOFsplash10-00kr-0980000000-dbc6e83d991ec80318bf2019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - gamma-Glutamylserine 20V, Positive-QTOFsplash10-0079-4910000000-609be3f861417e0812e22019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - gamma-Glutamylserine 40V, Positive-QTOFsplash10-0a4i-9300000000-83e5d3133edcc001be282019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - gamma-Glutamylserine 10V, Negative-QTOFsplash10-00m0-0590000000-ee79071c660e6356cc0d2019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - gamma-Glutamylserine 20V, Negative-QTOFsplash10-000i-2930000000-544bb5b60bcde74dd3262019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - gamma-Glutamylserine 40V, Negative-QTOFsplash10-0pic-9300000000-24b743f373c56c9364742019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - gamma-Glutamylserine 10V, Positive-QTOFsplash10-001i-5910000000-1dc1a847006024f3d84f2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - gamma-Glutamylserine 20V, Positive-QTOFsplash10-001i-9300000000-bbeb6ecdea4ce0166ace2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - gamma-Glutamylserine 40V, Positive-QTOFsplash10-0a59-9000000000-b04d1934ed51bcbc17882021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - gamma-Glutamylserine 10V, Negative-QTOFsplash10-0g30-4960000000-849dd42a519f73d6facf2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - gamma-Glutamylserine 20V, Negative-QTOFsplash10-0fmi-4910000000-97d131f18259454a5a862021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - gamma-Glutamylserine 40V, Negative-QTOFsplash10-0fef-9100000000-3f8a49fd907736c8b6e82021-09-24Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB112150
KNApSAcK IDNot Available
Chemspider ID18691889
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound22844748
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