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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2008-10-29 15:09:13 UTC
Update Date2021-09-14 15:36:59 UTC
HMDB IDHMDB0011161
Secondary Accession Numbers
  • HMDB0028820
  • HMDB11161
  • HMDB28820
Metabolite Identification
Common NameGlutamylhydroxyproline
DescriptionGlutamylhydroxyproline is likely a proteolytic breakdown product of collagen. It belongs to the family of peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by the formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another. It is found in urine (PMID: 3782411 ).
Structure
Data?1582752874
Synonyms
ValueSource
L-a-Glutamyl-L-hydroxyprolineHMDB
L-Α-glutamyl-L-hydroxyprolineHMDB
Glutamyl-hydroxyprolineHMDB
L-alpha-Glutamyl-L-hydroxyprolineHMDB
alpha-Glutamyl-hydroxyprolineHMDB
alpha-GlutamylhydroxyprolineHMDB
Α-glutamyl-hydroxyprolineHMDB
Α-glutamylhydroxyprolineHMDB
Glu-hypHMDB
L-Glu-L-hypHMDB
Glutamate hydroxyproline dipeptideHMDB
Glutamate-hydroxyproline dipeptideHMDB
Glutamic acid hydroxyproline dipeptideHMDB
Glutamic acid-hydroxyproline dipeptideHMDB
(2S,4R)-1-[(2S)-2-Amino-4-carboxybutanoyl]-4-hydroxypyrrolidine-2-carboxylateHMDB
GlutamylhydroxyprolineHMDB
Chemical FormulaC10H16N2O6
Average Molecular Weight260.246
Monoisotopic Molecular Weight260.100836243
IUPAC Name(2S,4R)-1-[(2S)-2-amino-4-carboxybutanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
Traditional Name(2S,4R)-1-[(2S)-2-amino-4-carboxybutanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CAS Registry Number33740-96-4
SMILES
N[C@@H](CCC(O)=O)C(=O)N1C[C@H](O)C[C@H]1C(O)=O
InChI Identifier
InChI=1S/C10H16N2O6/c11-6(1-2-8(14)15)9(16)12-4-5(13)3-7(12)10(17)18/h5-7,13H,1-4,11H2,(H,14,15)(H,17,18)/t5-,6+,7+/m1/s1
InChI KeyNRSOKLBABRGMGJ-VQVTYTSYSA-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
  • N-acyl-alpha amino acid or derivatives
  • Proline or derivatives
  • N-acyl-l-alpha-amino acid
  • N-acyl-alpha-amino acid
  • Alpha-amino acid amide
  • Alpha-amino acid or derivatives
  • N-acylpyrrolidine
  • Pyrrolidine carboxylic acid
  • Pyrrolidine carboxylic acid or derivatives
  • Amino fatty acid
  • Hydroxy fatty acid
  • Heterocyclic fatty acid
  • Fatty acyl
  • Fatty acid
  • Dicarboxylic acid or derivatives
  • Tertiary carboxylic acid amide
  • Pyrrolidine
  • Carboxamide group
  • Amino acid
  • Amino acid or derivatives
  • Secondary alcohol
  • Azacycle
  • Carboxylic acid
  • Organoheterocyclic compound
  • Primary amine
  • Organic nitrogen compound
  • Alcohol
  • Carbonyl group
  • Hydrocarbon derivative
  • Organic oxide
  • Amine
  • Organic oxygen compound
  • Organooxygen compound
  • Primary aliphatic amine
  • Organonitrogen compound
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic 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
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility27.4 g/LALOGPS
logP-3.5ALOGPS
logP-4.9ChemAxon
logS-0.98ALOGPS
pKa (Strongest Acidic)3.17ChemAxon
pKa (Strongest Basic)8.44ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area141.16 ŲChemAxon
Rotatable Bond Count5ChemAxon
Refractivity57.59 m³·mol⁻¹ChemAxon
Polarizability24.42 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]+162.29830932474
DeepCCS[M-H]-159.9430932474
DeepCCS[M-2H]-192.82730932474
DeepCCS[M+Na]+168.39130932474

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
GlutamylhydroxyprolineN[C@@H](CCC(O)=O)C(=O)N1C[C@H](O)C[C@H]1C(O)=O3583.9Standard polar33892256
GlutamylhydroxyprolineN[C@@H](CCC(O)=O)C(=O)N1C[C@H](O)C[C@H]1C(O)=O2272.8Standard non polar33892256
GlutamylhydroxyprolineN[C@@H](CCC(O)=O)C(=O)N1C[C@H](O)C[C@H]1C(O)=O2505.0Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Glutamylhydroxyproline,1TMS,isomer #1C[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N1C[C@H](O)C[C@H]1C(=O)O2346.0Semi standard non polar33892256
Glutamylhydroxyproline,1TMS,isomer #2C[Si](C)(C)O[C@@H]1C[C@@H](C(=O)O)N(C(=O)[C@@H](N)CCC(=O)O)C12365.4Semi standard non polar33892256
Glutamylhydroxyproline,1TMS,isomer #3C[Si](C)(C)OC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](N)CCC(=O)O2296.1Semi standard non polar33892256
Glutamylhydroxyproline,1TMS,isomer #4C[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N1C[C@H](O)C[C@H]1C(=O)O2374.1Semi standard non polar33892256
Glutamylhydroxyproline,2TMS,isomer #1C[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N1C[C@H](O[Si](C)(C)C)C[C@H]1C(=O)O2349.6Semi standard non polar33892256
Glutamylhydroxyproline,2TMS,isomer #2C[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N1C[C@H](O)C[C@H]1C(=O)O[Si](C)(C)C2326.3Semi standard non polar33892256
Glutamylhydroxyproline,2TMS,isomer #3C[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)N1C[C@H](O)C[C@H]1C(=O)O2389.6Semi standard non polar33892256
Glutamylhydroxyproline,2TMS,isomer #4C[Si](C)(C)OC(=O)[C@@H]1C[C@@H](O[Si](C)(C)C)CN1C(=O)[C@@H](N)CCC(=O)O2325.1Semi standard non polar33892256
Glutamylhydroxyproline,2TMS,isomer #5C[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N1C[C@H](O[Si](C)(C)C)C[C@H]1C(=O)O2400.7Semi standard non polar33892256
Glutamylhydroxyproline,2TMS,isomer #6C[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N1C[C@H](O)C[C@H]1C(=O)O[Si](C)(C)C2355.0Semi standard non polar33892256
Glutamylhydroxyproline,2TMS,isomer #7C[Si](C)(C)N([C@@H](CCC(=O)O)C(=O)N1C[C@H](O)C[C@H]1C(=O)O)[Si](C)(C)C2504.5Semi standard non polar33892256
Glutamylhydroxyproline,3TMS,isomer #1C[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N1C[C@H](O[Si](C)(C)C)C[C@H]1C(=O)O[Si](C)(C)C2333.9Semi standard non polar33892256
Glutamylhydroxyproline,3TMS,isomer #2C[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)N1C[C@H](O[Si](C)(C)C)C[C@H]1C(=O)O2375.8Semi standard non polar33892256
Glutamylhydroxyproline,3TMS,isomer #3C[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)N1C[C@H](O)C[C@H]1C(=O)O[Si](C)(C)C2372.3Semi standard non polar33892256
Glutamylhydroxyproline,3TMS,isomer #4C[Si](C)(C)OC(=O)CC[C@@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)O)N([Si](C)(C)C)[Si](C)(C)C2506.3Semi standard non polar33892256
Glutamylhydroxyproline,3TMS,isomer #5C[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N1C[C@H](O[Si](C)(C)C)C[C@H]1C(=O)O[Si](C)(C)C2373.0Semi standard non polar33892256
Glutamylhydroxyproline,3TMS,isomer #6C[Si](C)(C)O[C@@H]1C[C@@H](C(=O)O)N(C(=O)[C@H](CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C12540.6Semi standard non polar33892256
Glutamylhydroxyproline,3TMS,isomer #7C[Si](C)(C)OC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@H](CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C2501.7Semi standard non polar33892256
Glutamylhydroxyproline,4TMS,isomer #1C[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)N1C[C@H](O[Si](C)(C)C)C[C@H]1C(=O)O[Si](C)(C)C2363.0Semi standard non polar33892256
Glutamylhydroxyproline,4TMS,isomer #1C[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)N1C[C@H](O[Si](C)(C)C)C[C@H]1C(=O)O[Si](C)(C)C2482.3Standard non polar33892256
Glutamylhydroxyproline,4TMS,isomer #1C[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)N1C[C@H](O[Si](C)(C)C)C[C@H]1C(=O)O[Si](C)(C)C2892.4Standard polar33892256
Glutamylhydroxyproline,4TMS,isomer #2C[Si](C)(C)OC(=O)CC[C@@H](C(=O)N1C[C@H](O[Si](C)(C)C)C[C@H]1C(=O)O)N([Si](C)(C)C)[Si](C)(C)C2543.8Semi standard non polar33892256
Glutamylhydroxyproline,4TMS,isomer #2C[Si](C)(C)OC(=O)CC[C@@H](C(=O)N1C[C@H](O[Si](C)(C)C)C[C@H]1C(=O)O)N([Si](C)(C)C)[Si](C)(C)C2541.6Standard non polar33892256
Glutamylhydroxyproline,4TMS,isomer #2C[Si](C)(C)OC(=O)CC[C@@H](C(=O)N1C[C@H](O[Si](C)(C)C)C[C@H]1C(=O)O)N([Si](C)(C)C)[Si](C)(C)C3065.5Standard polar33892256
Glutamylhydroxyproline,4TMS,isomer #3C[Si](C)(C)OC(=O)CC[C@@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2530.6Semi standard non polar33892256
Glutamylhydroxyproline,4TMS,isomer #3C[Si](C)(C)OC(=O)CC[C@@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2483.6Standard non polar33892256
Glutamylhydroxyproline,4TMS,isomer #3C[Si](C)(C)OC(=O)CC[C@@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2925.0Standard polar33892256
Glutamylhydroxyproline,4TMS,isomer #4C[Si](C)(C)OC(=O)[C@@H]1C[C@@H](O[Si](C)(C)C)CN1C(=O)[C@H](CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C2545.3Semi standard non polar33892256
Glutamylhydroxyproline,4TMS,isomer #4C[Si](C)(C)OC(=O)[C@@H]1C[C@@H](O[Si](C)(C)C)CN1C(=O)[C@H](CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C2498.1Standard non polar33892256
Glutamylhydroxyproline,4TMS,isomer #4C[Si](C)(C)OC(=O)[C@@H]1C[C@@H](O[Si](C)(C)C)CN1C(=O)[C@H](CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C2978.1Standard polar33892256
Glutamylhydroxyproline,5TMS,isomer #1C[Si](C)(C)OC(=O)CC[C@@H](C(=O)N1C[C@H](O[Si](C)(C)C)C[C@H]1C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2565.4Semi standard non polar33892256
Glutamylhydroxyproline,5TMS,isomer #1C[Si](C)(C)OC(=O)CC[C@@H](C(=O)N1C[C@H](O[Si](C)(C)C)C[C@H]1C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2534.7Standard non polar33892256
Glutamylhydroxyproline,5TMS,isomer #1C[Si](C)(C)OC(=O)CC[C@@H](C(=O)N1C[C@H](O[Si](C)(C)C)C[C@H]1C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2719.8Standard polar33892256
Glutamylhydroxyproline,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N1C[C@H](O)C[C@H]1C(=O)O2600.3Semi standard non polar33892256
Glutamylhydroxyproline,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@@H]1C[C@@H](C(=O)O)N(C(=O)[C@@H](N)CCC(=O)O)C12609.3Semi standard non polar33892256
Glutamylhydroxyproline,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](N)CCC(=O)O2563.0Semi standard non polar33892256
Glutamylhydroxyproline,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N1C[C@H](O)C[C@H]1C(=O)O2614.6Semi standard non polar33892256
Glutamylhydroxyproline,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C(=O)O2844.0Semi standard non polar33892256
Glutamylhydroxyproline,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N1C[C@H](O)C[C@H]1C(=O)O[Si](C)(C)C(C)(C)C2795.2Semi standard non polar33892256
Glutamylhydroxyproline,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)N1C[C@H](O)C[C@H]1C(=O)O2860.6Semi standard non polar33892256
Glutamylhydroxyproline,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)CN1C(=O)[C@@H](N)CCC(=O)O2814.4Semi standard non polar33892256
Glutamylhydroxyproline,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C(=O)O2867.9Semi standard non polar33892256
Glutamylhydroxyproline,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N1C[C@H](O)C[C@H]1C(=O)O[Si](C)(C)C(C)(C)C2828.6Semi standard non polar33892256
Glutamylhydroxyproline,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)N([C@@H](CCC(=O)O)C(=O)N1C[C@H](O)C[C@H]1C(=O)O)[Si](C)(C)C(C)(C)C2941.5Semi standard non polar33892256
Glutamylhydroxyproline,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C(=O)O[Si](C)(C)C(C)(C)C3015.8Semi standard non polar33892256
Glutamylhydroxyproline,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C(=O)O3068.7Semi standard non polar33892256
Glutamylhydroxyproline,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)N1C[C@H](O)C[C@H]1C(=O)O[Si](C)(C)C(C)(C)C3040.7Semi standard non polar33892256
Glutamylhydroxyproline,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3195.4Semi standard non polar33892256
Glutamylhydroxyproline,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C(=O)O[Si](C)(C)C(C)(C)C3066.1Semi standard non polar33892256
Glutamylhydroxyproline,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)O[C@@H]1C[C@@H](C(=O)O)N(C(=O)[C@H](CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C13207.5Semi standard non polar33892256
Glutamylhydroxyproline,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@H](CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3169.0Semi standard non polar33892256
Glutamylhydroxyproline,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C(=O)O[Si](C)(C)C(C)(C)C3250.5Semi standard non polar33892256
Glutamylhydroxyproline,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C(=O)O[Si](C)(C)C(C)(C)C3146.8Standard non polar33892256
Glutamylhydroxyproline,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C(=O)O[Si](C)(C)C(C)(C)C3233.3Standard polar33892256
Glutamylhydroxyproline,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3443.3Semi standard non polar33892256
Glutamylhydroxyproline,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3240.6Standard non polar33892256
Glutamylhydroxyproline,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3298.7Standard polar33892256
Glutamylhydroxyproline,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3404.3Semi standard non polar33892256
Glutamylhydroxyproline,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3212.7Standard non polar33892256
Glutamylhydroxyproline,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3214.2Standard polar33892256
Glutamylhydroxyproline,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)CN1C(=O)[C@H](CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3425.1Semi standard non polar33892256
Glutamylhydroxyproline,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)CN1C(=O)[C@H](CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3185.4Standard non polar33892256
Glutamylhydroxyproline,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)CN1C(=O)[C@H](CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3246.0Standard polar33892256
Glutamylhydroxyproline,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3645.6Semi standard non polar33892256
Glutamylhydroxyproline,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3346.8Standard non polar33892256
Glutamylhydroxyproline,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3160.6Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Glutamylhydroxyproline 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 - Glutamylhydroxyproline 10V, Positive-QTOFsplash10-03di-0090000000-5d159f93d9828475c1872021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glutamylhydroxyproline 20V, Positive-QTOFsplash10-001i-9430000000-683704ff64e1c9cec7f42021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glutamylhydroxyproline 40V, Positive-QTOFsplash10-08g0-9200000000-5f77b95b84de859c5fee2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glutamylhydroxyproline 10V, Negative-QTOFsplash10-0a4l-0390000000-6afad365c0ea8fb5cb162021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glutamylhydroxyproline 20V, Negative-QTOFsplash10-03e9-3910000000-421a21fc42947e177f222021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glutamylhydroxyproline 40V, Negative-QTOFsplash10-0536-9300000000-01dd4794b7b0976c3aa22021-09-24Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 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, 1000 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, 200 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, 300 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, 400 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, 500 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, 600 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, 700 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, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart 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 IDFDB027935
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound25227055
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 References
  1. Jandke J, Spiteller G: Dipeptide analysis in human urine. J Chromatogr. 1986 Oct 31;382:39-45. [PubMed:3782411 ]