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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-06 21:02:47 UTC
Update Date2021-09-14 15:19:01 UTC
HMDB IDHMDB0028865
Secondary Accession Numbers
  • HMDB28865
Metabolite Identification
Common NameHydroxyprolyl-Histidine
DescriptionHydroxyprolyl-Histidine is a dipeptide composed of hydroxyproline and histidine. 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?1582753349
Synonyms
ValueSource
Hydroxyproline histidine dipeptideHMDB
HP-H DipeptideHMDB
HPH DipeptideHMDB
Hpro-hisHMDB
Hydroxyproline-histidine dipeptideHMDB
HydroxyprolylhistidineHMDB
L-Hydroxyprolyl-L-histidineHMDB
2-{[hydroxy(4-hydroxypyrrolidin-2-yl)methylidene]amino}-3-(1H-imidazol-5-yl)propanoateHMDB
Chemical FormulaC11H16N4O4
Average Molecular Weight268.2691
Monoisotopic Molecular Weight268.11715502
IUPAC Name2-[(4-hydroxypyrrolidin-2-yl)formamido]-3-(1H-imidazol-5-yl)propanoic acid
Traditional Name2-[(4-hydroxypyrrolidin-2-yl)formamido]-3-(3H-imidazol-4-yl)propanoic acid
CAS Registry NumberNot Available
SMILES
OC1CNC(C1)C(=O)NC(CC1=CN=CN1)C(O)=O
InChI Identifier
InChI=1S/C11H16N4O4/c16-7-2-8(13-4-7)10(17)15-9(11(18)19)1-6-3-12-5-14-6/h3,5,7-9,13,16H,1-2,4H2,(H,12,14)(H,15,17)(H,18,19)
InChI KeyJZJSKYCAKGGJBO-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as peptides. Peptides are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct ParentPeptides
Alternative Parents
Substituents
  • Alpha peptide
  • Histidine or derivatives
  • N-acyl-alpha-amino acid
  • N-acyl-alpha amino acid or derivatives
  • Alpha-amino acid or derivatives
  • Imidazolyl carboxylic acid derivative
  • Azole
  • Imidazole
  • Heteroaromatic compound
  • Pyrrolidine
  • 1,2-aminoalcohol
  • Amino acid or derivatives
  • Amino acid
  • Secondary alcohol
  • Carboximidic acid
  • Carboximidic acid derivative
  • Carboxylic acid
  • Secondary aliphatic amine
  • Azacycle
  • Monocarboxylic acid or derivatives
  • Organoheterocyclic compound
  • Organic 1,3-dipolar compound
  • Propargyl-type 1,3-dipolar organic compound
  • Secondary amine
  • Organic oxygen compound
  • Amine
  • Hydrocarbon derivative
  • Organopnictogen compound
  • Organic oxide
  • Carbonyl group
  • Organonitrogen compound
  • Organooxygen compound
  • Organic nitrogen compound
  • Alcohol
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic 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
LogP-4.79Extrapolated
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility7.1 g/LALOGPS
logP-2.5ALOGPS
logP-5ChemAxon
logS-1.6ALOGPS
pKa (Strongest Acidic)3.29ChemAxon
pKa (Strongest Basic)9.12ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area127.34 ŲChemAxon
Rotatable Bond Count5ChemAxon
Refractivity64.24 m³·mol⁻¹ChemAxon
Polarizability25.93 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]+163.57731661259
DarkChem[M-H]-158.63431661259
DeepCCS[M+H]+157.58130932474
DeepCCS[M-H]-155.22330932474
DeepCCS[M-2H]-188.10830932474
DeepCCS[M+Na]+163.67430932474
AllCCS[M+H]+161.932859911
AllCCS[M+H-H2O]+158.332859911
AllCCS[M+NH4]+165.232859911
AllCCS[M+Na]+166.132859911
AllCCS[M-H]-161.032859911
AllCCS[M+Na-2H]-160.832859911
AllCCS[M+HCOO]-160.732859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Hydroxyprolyl-HistidineOC1CNC(C1)C(=O)NC(CC1=CN=CN1)C(O)=O3728.7Standard polar33892256
Hydroxyprolyl-HistidineOC1CNC(C1)C(=O)NC(CC1=CN=CN1)C(O)=O2292.2Standard non polar33892256
Hydroxyprolyl-HistidineOC1CNC(C1)C(=O)NC(CC1=CN=CN1)C(O)=O2879.5Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Hydroxyprolyl-Histidine,1TMS,isomer #1C[Si](C)(C)OC1CNC(C(=O)NC(CC2=CN=C[NH]2)C(=O)O)C12765.7Semi standard non polar33892256
Hydroxyprolyl-Histidine,1TMS,isomer #2C[Si](C)(C)OC(=O)C(CC1=CN=C[NH]1)NC(=O)C1CC(O)CN12741.0Semi standard non polar33892256
Hydroxyprolyl-Histidine,1TMS,isomer #3C[Si](C)(C)N1CC(O)CC1C(=O)NC(CC1=CN=C[NH]1)C(=O)O2664.7Semi standard non polar33892256
Hydroxyprolyl-Histidine,1TMS,isomer #4C[Si](C)(C)N(C(=O)C1CC(O)CN1)C(CC1=CN=C[NH]1)C(=O)O2697.2Semi standard non polar33892256
Hydroxyprolyl-Histidine,1TMS,isomer #5C[Si](C)(C)N1C=NC=C1CC(NC(=O)C1CC(O)CN1)C(=O)O2815.3Semi standard non polar33892256
Hydroxyprolyl-Histidine,2TMS,isomer #1C[Si](C)(C)OC(=O)C(CC1=CN=C[NH]1)NC(=O)C1CC(O[Si](C)(C)C)CN12739.0Semi standard non polar33892256
Hydroxyprolyl-Histidine,2TMS,isomer #10C[Si](C)(C)N(C(=O)C1CC(O)CN1)C(CC1=CN=CN1[Si](C)(C)C)C(=O)O2772.8Semi standard non polar33892256
Hydroxyprolyl-Histidine,2TMS,isomer #2C[Si](C)(C)OC1CC(C(=O)NC(CC2=CN=C[NH]2)C(=O)O)N([Si](C)(C)C)C12719.4Semi standard non polar33892256
Hydroxyprolyl-Histidine,2TMS,isomer #3C[Si](C)(C)OC1CNC(C(=O)N(C(CC2=CN=C[NH]2)C(=O)O)[Si](C)(C)C)C12680.1Semi standard non polar33892256
Hydroxyprolyl-Histidine,2TMS,isomer #4C[Si](C)(C)OC1CNC(C(=O)NC(CC2=CN=CN2[Si](C)(C)C)C(=O)O)C12818.7Semi standard non polar33892256
Hydroxyprolyl-Histidine,2TMS,isomer #5C[Si](C)(C)OC(=O)C(CC1=CN=CN1[Si](C)(C)C)NC(=O)C1CC(O)CN12789.8Semi standard non polar33892256
Hydroxyprolyl-Histidine,2TMS,isomer #6C[Si](C)(C)OC(=O)C(CC1=CN=C[NH]1)N(C(=O)C1CC(O)CN1)[Si](C)(C)C2655.6Semi standard non polar33892256
Hydroxyprolyl-Histidine,2TMS,isomer #7C[Si](C)(C)OC(=O)C(CC1=CN=C[NH]1)NC(=O)C1CC(O)CN1[Si](C)(C)C2671.1Semi standard non polar33892256
Hydroxyprolyl-Histidine,2TMS,isomer #8C[Si](C)(C)N1CC(O)CC1C(=O)N(C(CC1=CN=C[NH]1)C(=O)O)[Si](C)(C)C2628.1Semi standard non polar33892256
Hydroxyprolyl-Histidine,2TMS,isomer #9C[Si](C)(C)N1CC(O)CC1C(=O)NC(CC1=CN=CN1[Si](C)(C)C)C(=O)O2788.9Semi standard non polar33892256
Hydroxyprolyl-Histidine,3TMS,isomer #1C[Si](C)(C)OC(=O)C(CC1=CN=CN1[Si](C)(C)C)NC(=O)C1CC(O[Si](C)(C)C)CN12771.3Semi standard non polar33892256
Hydroxyprolyl-Histidine,3TMS,isomer #1C[Si](C)(C)OC(=O)C(CC1=CN=CN1[Si](C)(C)C)NC(=O)C1CC(O[Si](C)(C)C)CN12525.8Standard non polar33892256
Hydroxyprolyl-Histidine,3TMS,isomer #10C[Si](C)(C)N1CC(O)CC1C(=O)N(C(CC1=CN=CN1[Si](C)(C)C)C(=O)O)[Si](C)(C)C2744.6Semi standard non polar33892256
Hydroxyprolyl-Histidine,3TMS,isomer #10C[Si](C)(C)N1CC(O)CC1C(=O)N(C(CC1=CN=CN1[Si](C)(C)C)C(=O)O)[Si](C)(C)C2675.6Standard non polar33892256
Hydroxyprolyl-Histidine,3TMS,isomer #2C[Si](C)(C)OC(=O)C(CC1=CN=C[NH]1)N(C(=O)C1CC(O[Si](C)(C)C)CN1)[Si](C)(C)C2628.0Semi standard non polar33892256
Hydroxyprolyl-Histidine,3TMS,isomer #2C[Si](C)(C)OC(=O)C(CC1=CN=C[NH]1)N(C(=O)C1CC(O[Si](C)(C)C)CN1)[Si](C)(C)C2542.6Standard non polar33892256
Hydroxyprolyl-Histidine,3TMS,isomer #3C[Si](C)(C)OC(=O)C(CC1=CN=C[NH]1)NC(=O)C1CC(O[Si](C)(C)C)CN1[Si](C)(C)C2674.0Semi standard non polar33892256
Hydroxyprolyl-Histidine,3TMS,isomer #3C[Si](C)(C)OC(=O)C(CC1=CN=C[NH]1)NC(=O)C1CC(O[Si](C)(C)C)CN1[Si](C)(C)C2564.5Standard non polar33892256
Hydroxyprolyl-Histidine,3TMS,isomer #4C[Si](C)(C)OC1CC(C(=O)N(C(CC2=CN=C[NH]2)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)C12679.2Semi standard non polar33892256
Hydroxyprolyl-Histidine,3TMS,isomer #4C[Si](C)(C)OC1CC(C(=O)N(C(CC2=CN=C[NH]2)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)C12636.1Standard non polar33892256
Hydroxyprolyl-Histidine,3TMS,isomer #5C[Si](C)(C)OC1CC(C(=O)NC(CC2=CN=CN2[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)C12814.6Semi standard non polar33892256
Hydroxyprolyl-Histidine,3TMS,isomer #5C[Si](C)(C)OC1CC(C(=O)NC(CC2=CN=CN2[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)C12651.8Standard non polar33892256
Hydroxyprolyl-Histidine,3TMS,isomer #6C[Si](C)(C)OC1CNC(C(=O)N(C(CC2=CN=CN2[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C12750.6Semi standard non polar33892256
Hydroxyprolyl-Histidine,3TMS,isomer #6C[Si](C)(C)OC1CNC(C(=O)N(C(CC2=CN=CN2[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C12635.1Standard non polar33892256
Hydroxyprolyl-Histidine,3TMS,isomer #7C[Si](C)(C)OC(=O)C(CC1=CN=CN1[Si](C)(C)C)N(C(=O)C1CC(O)CN1)[Si](C)(C)C2725.6Semi standard non polar33892256
Hydroxyprolyl-Histidine,3TMS,isomer #7C[Si](C)(C)OC(=O)C(CC1=CN=CN1[Si](C)(C)C)N(C(=O)C1CC(O)CN1)[Si](C)(C)C2551.1Standard non polar33892256
Hydroxyprolyl-Histidine,3TMS,isomer #8C[Si](C)(C)OC(=O)C(CC1=CN=CN1[Si](C)(C)C)NC(=O)C1CC(O)CN1[Si](C)(C)C2766.5Semi standard non polar33892256
Hydroxyprolyl-Histidine,3TMS,isomer #8C[Si](C)(C)OC(=O)C(CC1=CN=CN1[Si](C)(C)C)NC(=O)C1CC(O)CN1[Si](C)(C)C2594.0Standard non polar33892256
Hydroxyprolyl-Histidine,3TMS,isomer #9C[Si](C)(C)OC(=O)C(CC1=CN=C[NH]1)N(C(=O)C1CC(O)CN1[Si](C)(C)C)[Si](C)(C)C2630.6Semi standard non polar33892256
Hydroxyprolyl-Histidine,3TMS,isomer #9C[Si](C)(C)OC(=O)C(CC1=CN=C[NH]1)N(C(=O)C1CC(O)CN1[Si](C)(C)C)[Si](C)(C)C2590.6Standard non polar33892256
Hydroxyprolyl-Histidine,4TMS,isomer #1C[Si](C)(C)OC(=O)C(CC1=CN=CN1[Si](C)(C)C)N(C(=O)C1CC(O[Si](C)(C)C)CN1)[Si](C)(C)C2700.8Semi standard non polar33892256
Hydroxyprolyl-Histidine,4TMS,isomer #1C[Si](C)(C)OC(=O)C(CC1=CN=CN1[Si](C)(C)C)N(C(=O)C1CC(O[Si](C)(C)C)CN1)[Si](C)(C)C2642.8Standard non polar33892256
Hydroxyprolyl-Histidine,4TMS,isomer #2C[Si](C)(C)OC(=O)C(CC1=CN=CN1[Si](C)(C)C)NC(=O)C1CC(O[Si](C)(C)C)CN1[Si](C)(C)C2749.1Semi standard non polar33892256
Hydroxyprolyl-Histidine,4TMS,isomer #2C[Si](C)(C)OC(=O)C(CC1=CN=CN1[Si](C)(C)C)NC(=O)C1CC(O[Si](C)(C)C)CN1[Si](C)(C)C2655.6Standard non polar33892256
Hydroxyprolyl-Histidine,4TMS,isomer #3C[Si](C)(C)OC(=O)C(CC1=CN=C[NH]1)N(C(=O)C1CC(O[Si](C)(C)C)CN1[Si](C)(C)C)[Si](C)(C)C2680.1Semi standard non polar33892256
Hydroxyprolyl-Histidine,4TMS,isomer #3C[Si](C)(C)OC(=O)C(CC1=CN=C[NH]1)N(C(=O)C1CC(O[Si](C)(C)C)CN1[Si](C)(C)C)[Si](C)(C)C2621.0Standard non polar33892256
Hydroxyprolyl-Histidine,4TMS,isomer #4C[Si](C)(C)OC1CC(C(=O)N(C(CC2=CN=CN2[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)C12785.0Semi standard non polar33892256
Hydroxyprolyl-Histidine,4TMS,isomer #4C[Si](C)(C)OC1CC(C(=O)N(C(CC2=CN=CN2[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)C12721.2Standard non polar33892256
Hydroxyprolyl-Histidine,4TMS,isomer #5C[Si](C)(C)OC(=O)C(CC1=CN=CN1[Si](C)(C)C)N(C(=O)C1CC(O)CN1[Si](C)(C)C)[Si](C)(C)C2746.4Semi standard non polar33892256
Hydroxyprolyl-Histidine,4TMS,isomer #5C[Si](C)(C)OC(=O)C(CC1=CN=CN1[Si](C)(C)C)N(C(=O)C1CC(O)CN1[Si](C)(C)C)[Si](C)(C)C2694.2Standard non polar33892256
Hydroxyprolyl-Histidine,5TMS,isomer #1C[Si](C)(C)OC(=O)C(CC1=CN=CN1[Si](C)(C)C)N(C(=O)C1CC(O[Si](C)(C)C)CN1[Si](C)(C)C)[Si](C)(C)C2771.4Semi standard non polar33892256
Hydroxyprolyl-Histidine,5TMS,isomer #1C[Si](C)(C)OC(=O)C(CC1=CN=CN1[Si](C)(C)C)N(C(=O)C1CC(O[Si](C)(C)C)CN1[Si](C)(C)C)[Si](C)(C)C2731.5Standard non polar33892256
Hydroxyprolyl-Histidine,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1CNC(C(=O)NC(CC2=CN=C[NH]2)C(=O)O)C13007.4Semi standard non polar33892256
Hydroxyprolyl-Histidine,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CN=C[NH]1)NC(=O)C1CC(O)CN12986.3Semi standard non polar33892256
Hydroxyprolyl-Histidine,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)N1CC(O)CC1C(=O)NC(CC1=CN=C[NH]1)C(=O)O2920.1Semi standard non polar33892256
Hydroxyprolyl-Histidine,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)N(C(=O)C1CC(O)CN1)C(CC1=CN=C[NH]1)C(=O)O2935.9Semi standard non polar33892256
Hydroxyprolyl-Histidine,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)N1C=NC=C1CC(NC(=O)C1CC(O)CN1)C(=O)O3082.0Semi standard non polar33892256
Hydroxyprolyl-Histidine,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CN=C[NH]1)NC(=O)C1CC(O[Si](C)(C)C(C)(C)C)CN13219.1Semi standard non polar33892256
Hydroxyprolyl-Histidine,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)N(C(=O)C1CC(O)CN1)C(CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O3262.1Semi standard non polar33892256
Hydroxyprolyl-Histidine,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1CC(C(=O)NC(CC2=CN=C[NH]2)C(=O)O)N([Si](C)(C)C(C)(C)C)C13201.8Semi standard non polar33892256
Hydroxyprolyl-Histidine,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1CNC(C(=O)N(C(CC2=CN=C[NH]2)C(=O)O)[Si](C)(C)C(C)(C)C)C13144.4Semi standard non polar33892256
Hydroxyprolyl-Histidine,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1CNC(C(=O)NC(CC2=CN=CN2[Si](C)(C)C(C)(C)C)C(=O)O)C13317.9Semi standard non polar33892256
Hydroxyprolyl-Histidine,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CN=CN1[Si](C)(C)C(C)(C)C)NC(=O)C1CC(O)CN13288.1Semi standard non polar33892256
Hydroxyprolyl-Histidine,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CN=C[NH]1)N(C(=O)C1CC(O)CN1)[Si](C)(C)C(C)(C)C3131.3Semi standard non polar33892256
Hydroxyprolyl-Histidine,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CN=C[NH]1)NC(=O)C1CC(O)CN1[Si](C)(C)C(C)(C)C3155.5Semi standard non polar33892256
Hydroxyprolyl-Histidine,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)N1CC(O)CC1C(=O)N(C(CC1=CN=C[NH]1)C(=O)O)[Si](C)(C)C(C)(C)C3082.7Semi standard non polar33892256
Hydroxyprolyl-Histidine,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)N1CC(O)CC1C(=O)NC(CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O3288.5Semi standard non polar33892256
Hydroxyprolyl-Histidine,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CN=CN1[Si](C)(C)C(C)(C)C)NC(=O)C1CC(O[Si](C)(C)C(C)(C)C)CN13478.6Semi standard non polar33892256
Hydroxyprolyl-Histidine,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CN=CN1[Si](C)(C)C(C)(C)C)NC(=O)C1CC(O[Si](C)(C)C(C)(C)C)CN13130.5Standard non polar33892256
Hydroxyprolyl-Histidine,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)N1CC(O)CC1C(=O)N(C(CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C3415.7Semi standard non polar33892256
Hydroxyprolyl-Histidine,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)N1CC(O)CC1C(=O)N(C(CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C3244.0Standard non polar33892256
Hydroxyprolyl-Histidine,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CN=C[NH]1)N(C(=O)C1CC(O[Si](C)(C)C(C)(C)C)CN1)[Si](C)(C)C(C)(C)C3329.6Semi standard non polar33892256
Hydroxyprolyl-Histidine,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CN=C[NH]1)N(C(=O)C1CC(O[Si](C)(C)C(C)(C)C)CN1)[Si](C)(C)C(C)(C)C3116.8Standard non polar33892256
Hydroxyprolyl-Histidine,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CN=C[NH]1)NC(=O)C1CC(O[Si](C)(C)C(C)(C)C)CN1[Si](C)(C)C(C)(C)C3392.0Semi standard non polar33892256
Hydroxyprolyl-Histidine,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CN=C[NH]1)NC(=O)C1CC(O[Si](C)(C)C(C)(C)C)CN1[Si](C)(C)C(C)(C)C3123.3Standard non polar33892256
Hydroxyprolyl-Histidine,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1CC(C(=O)N(C(CC2=CN=C[NH]2)C(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C13332.2Semi standard non polar33892256
Hydroxyprolyl-Histidine,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1CC(C(=O)N(C(CC2=CN=C[NH]2)C(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C13161.0Standard non polar33892256
Hydroxyprolyl-Histidine,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC1CC(C(=O)NC(CC2=CN=CN2[Si](C)(C)C(C)(C)C)C(=O)O)N([Si](C)(C)C(C)(C)C)C13518.5Semi standard non polar33892256
Hydroxyprolyl-Histidine,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC1CC(C(=O)NC(CC2=CN=CN2[Si](C)(C)C(C)(C)C)C(=O)O)N([Si](C)(C)C(C)(C)C)C13224.2Standard non polar33892256
Hydroxyprolyl-Histidine,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC1CNC(C(=O)N(C(CC2=CN=CN2[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)C13462.7Semi standard non polar33892256
Hydroxyprolyl-Histidine,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC1CNC(C(=O)N(C(CC2=CN=CN2[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)C13199.7Standard non polar33892256
Hydroxyprolyl-Histidine,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CN=CN1[Si](C)(C)C(C)(C)C)N(C(=O)C1CC(O)CN1)[Si](C)(C)C(C)(C)C3420.5Semi standard non polar33892256
Hydroxyprolyl-Histidine,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CN=CN1[Si](C)(C)C(C)(C)C)N(C(=O)C1CC(O)CN1)[Si](C)(C)C(C)(C)C3153.7Standard non polar33892256
Hydroxyprolyl-Histidine,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CN=CN1[Si](C)(C)C(C)(C)C)NC(=O)C1CC(O)CN1[Si](C)(C)C(C)(C)C3456.9Semi standard non polar33892256
Hydroxyprolyl-Histidine,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CN=CN1[Si](C)(C)C(C)(C)C)NC(=O)C1CC(O)CN1[Si](C)(C)C(C)(C)C3203.1Standard non polar33892256
Hydroxyprolyl-Histidine,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CN=C[NH]1)N(C(=O)C1CC(O)CN1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3268.2Semi standard non polar33892256
Hydroxyprolyl-Histidine,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CN=C[NH]1)N(C(=O)C1CC(O)CN1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3161.9Standard non polar33892256
Hydroxyprolyl-Histidine,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CN=CN1[Si](C)(C)C(C)(C)C)N(C(=O)C1CC(O[Si](C)(C)C(C)(C)C)CN1)[Si](C)(C)C(C)(C)C3584.6Semi standard non polar33892256
Hydroxyprolyl-Histidine,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CN=CN1[Si](C)(C)C(C)(C)C)N(C(=O)C1CC(O[Si](C)(C)C(C)(C)C)CN1)[Si](C)(C)C(C)(C)C3380.6Standard non polar33892256
Hydroxyprolyl-Histidine,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CN=CN1[Si](C)(C)C(C)(C)C)NC(=O)C1CC(O[Si](C)(C)C(C)(C)C)CN1[Si](C)(C)C(C)(C)C3656.8Semi standard non polar33892256
Hydroxyprolyl-Histidine,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CN=CN1[Si](C)(C)C(C)(C)C)NC(=O)C1CC(O[Si](C)(C)C(C)(C)C)CN1[Si](C)(C)C(C)(C)C3381.1Standard non polar33892256
Hydroxyprolyl-Histidine,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CN=C[NH]1)N(C(=O)C1CC(O[Si](C)(C)C(C)(C)C)CN1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3509.2Semi standard non polar33892256
Hydroxyprolyl-Histidine,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CN=C[NH]1)N(C(=O)C1CC(O[Si](C)(C)C(C)(C)C)CN1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3310.0Standard non polar33892256
Hydroxyprolyl-Histidine,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1CC(C(=O)N(C(CC2=CN=CN2[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C13654.2Semi standard non polar33892256
Hydroxyprolyl-Histidine,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1CC(C(=O)N(C(CC2=CN=CN2[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C13417.2Standard non polar33892256
Hydroxyprolyl-Histidine,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CN=CN1[Si](C)(C)C(C)(C)C)N(C(=O)C1CC(O)CN1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3574.8Semi standard non polar33892256
Hydroxyprolyl-Histidine,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CN=CN1[Si](C)(C)C(C)(C)C)N(C(=O)C1CC(O)CN1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3444.0Standard non polar33892256
Hydroxyprolyl-Histidine,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CN=CN1[Si](C)(C)C(C)(C)C)N(C(=O)C1CC(O[Si](C)(C)C(C)(C)C)CN1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3795.8Semi standard non polar33892256
Hydroxyprolyl-Histidine,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CN=CN1[Si](C)(C)C(C)(C)C)N(C(=O)C1CC(O[Si](C)(C)C(C)(C)C)CN1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3583.6Standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Hydroxyprolyl-Histidine GC-MS (Non-derivatized) - 70eV, Positivesplash10-0h2o-9130000000-319337571573cd0120c22017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Hydroxyprolyl-Histidine GC-MS (2 TMS) - 70eV, Positivesplash10-00dr-8936000000-d71bc6d4dda6d48fa5de2017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Hydroxyprolyl-Histidine 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 - Hydroxyprolyl-Histidine 10V, Positive-QTOFsplash10-0udi-1090000000-3a6961a7541967f0ddea2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Hydroxyprolyl-Histidine 20V, Positive-QTOFsplash10-0670-9450000000-c42a3ffcd4e06e04df0b2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Hydroxyprolyl-Histidine 40V, Positive-QTOFsplash10-014i-9100000000-87501f55cd72388e42442017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Hydroxyprolyl-Histidine 10V, Negative-QTOFsplash10-014i-0190000000-290fac0d87fd5dd2019d2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Hydroxyprolyl-Histidine 20V, Negative-QTOFsplash10-0mot-2890000000-34635ffaaf00bff260022017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Hydroxyprolyl-Histidine 40V, Negative-QTOFsplash10-0m1c-9600000000-d3acef7cc014bb663a7f2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Hydroxyprolyl-Histidine 10V, Positive-QTOFsplash10-014i-0090000000-d5d372cabf5480b910f92021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Hydroxyprolyl-Histidine 20V, Positive-QTOFsplash10-02ti-3940000000-1d71dc3ee0a064e15ee72021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Hydroxyprolyl-Histidine 40V, Positive-QTOFsplash10-00xr-9300000000-cc1681d1b0a23ded72852021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Hydroxyprolyl-Histidine 10V, Negative-QTOFsplash10-014i-0490000000-5797382ec795250d33fa2021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Hydroxyprolyl-Histidine 20V, Negative-QTOFsplash10-0rk9-3930000000-634025435acbe77ec0332021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Hydroxyprolyl-Histidine 40V, Negative-QTOFsplash10-0cdl-9700000000-1a7b7c3860a6e0e24ee72021-09-25Wishart 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 IDFDB111895
KNApSAcK IDNot Available
Chemspider ID35032803
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound76895453
PDB IDNot Available
ChEBI ID174533
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