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Bovine Metabolome Database



Showing metabocard for Glycylprolylhydroxyproline (BMDB02171)

Legend: metabolite field enzyme field

Version 1.0
Creation Date 2006-05-22 15:17:39
Update Date 2009-05-05 20:59:09
Accession Number BMDB02171
Common Name Glycylprolylhydroxyproline
Description Glycylprolylhydroxyproline is a tripeptide that has been found in urine and blood serum (PMID 5134921). In growing children, higher level excretion of urinary hydroxyproline peptides (including glycylprolylhydroxyproline) has been observed (PMID 14105582).
Synonyms Not Available
Chemical IUPAC Name Not Available
Chemical Formula C12H19N3O5
Chemical Structure Structure
Chemical Taxonomy
Kingdom
  • Organic
Super Class
  • Amino acids and Amino Acid conjugates
Class
  • Polypeptides
Sub Class
  • Tripeptides
Family
  • Mammalian_Metabolite
Species
  • secondary alcohol; primary amine; primary aliphatic amine (alkylamine); carboxylic acid; tertiary carboxylic acid amide; heterocyclic compound
Biofunction
Application
Source
  • Endogenous
Average Molecular Weight 285.296
Monoisotopic Molecular Weight 285.132477
Isomeric SMILES NCC(=O)N1CCC[C@H]1C(=O)N1CCC(O)[C@H]1C(O)=O
Canonical SMILES NCC(=O)N1CCCC1C(=O)N1CCC(O)C1C(O)=O
KEGG Compound ID Not Available
BioCyc ID Not Available
BiGG ID Not Available
Wikipedia Link Not Available
METLIN ID 6524 Link Image
PubChem Compound Not Available
PubChem Substance Not Available
ChEBI ID Not Available
CAS Registry Number 2239-67-0
InChI Identifier InChI=1/C12H19N3O5/c13-6-9(17)14-4-1-2-7(14)11(18)15-5-3-8(16)10(15)12(19)20/h7-8,10,16H,1-6,13H2,(H,19,20)/t7-,8?,10-/m0/s1
Synthesis Reference Not Available
Melting Point (Experimental) Not Available
Experimental Water Solubility Not Available Source: PhysProp
Predicted Water Solubility 89.399994 mg/mL [Predicted by ALOGPS] Calculated using ALOGPS
Physiological Charge 0
State Solid
Experimental LogP/Hydrophobicity Not Available Source: PhysProp
Predicted LogP/Hydrophobicity -2.48 [Predicted by ALOGPS] Calculated using ALOGPS
Material Safety Data Sheet (MSDS) Not Available
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SDF File Show
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2D Structure
3D Structure
Experimental PDB ID Not Available
Experimental 1H NMR Spectrum Not Available
Experimental 13C NMR Spectrum Not Available
Experimental 13C HSQC Spectrum Not Available
Predicted 1H NMR Spectrum Show Image
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Predicted 13C NMR Spectrum Show Image
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Mass Spectrum Not Available
Simplified TOCSY Spectrum Not Available
BMRB Spectrum Not Available
Cellular Location Not Available
Biofluid Location Not Available
Tissue Location Not Available
Concentrations (Normal) Not Available
Concentrations (Abnormal) Not Available
Pathway Names Not Available
HMDB Pathways Not Available
KEGG Pathways Not Available
SimCell Pathways Not Available
General References Not Available