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Human Metabolome Database Version 3.5

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Showing metabocard for L-leucyl-L-proline (HMDB11175)

Record Information
Version 3.5
Creation Date 2008-10-29 09:22:04 -0600
Update Date 2013-02-08 17:25:50 -0700
HMDB ID HMDB11175
Secondary Accession Numbers None
Metabolite Identification
Common Name L-leucyl-L-proline
Description L-leucyl-l-proline is a proteolytic breakdown product of larger proteins. 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 formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another. It is found in urine (PMID: 3782411 Link_out).
Structure Thumb
Download: MOL | SDF | SMILES | InChI
Display: 2D Structure | 3D Structure
Synonyms
  1. Leu-Pro
  2. Leucylproline
Chemical Formula C11H20N2O3
Average Molecular Weight 228.2881
Monoisotopic Molecular Weight 228.147392516
IUPAC Name 1-(2-amino-4-methylpentanoyl)pyrrolidine-2-carboxylic acid
Traditional IUPAC Name leu-pro
CAS Registry Number Not Available
SMILES CC(C)CC(N)C(=O)N1CCCC1C(O)=O
InChI Identifier InChI=1S/C11H20N2O3/c1-7(2)6-8(12)10(14)13-5-3-4-9(13)11(15)16/h7-9H,3-6,12H2,1-2H3,(H,15,16)
InChI Key VTJUNIYRYIAIHF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom Organic Compounds
Super Class Amino Acids, Peptides, and Analogues
Class Peptides
Sub Class N/A
Other Descriptors
  • Aliphatic Heteromonocyclic Compounds
Substituents
  • Carboxamide Group
  • Carboxylic Acid
  • Primary Aliphatic Amine (Alkylamine)
  • Pyrrolidine
  • Pyrrolidine Carboxylic Acid
  • Tertiary Carboxylic Acid Amide
Direct Parent Peptides
Ontology
Status Detected and Quantified
Origin
  • Endogenous
Biofunction Not Available
Application Not Available
Cellular locations Not Available
Physical Properties
State Solid
Experimental Properties
Property Value Reference
Melting Point Not Available Not Available
Boiling Point Not Available Not Available
Water Solubility Not Available Not Available
LogP Not Available Not Available
Predicted Properties
Property Value Source
Water Solubility 44.6 g/L ALOGPS
LogP -0.78 ALOGPS
LogP -1.9 ChemAxon
LogS -0.71 ALOGPS
pKa (strongest acidic) 3.92 ChemAxon
pKa (strongest basic) 8.43 ChemAxon
Hydrogen Acceptor Count 4 ChemAxon
Hydrogen Donor Count 2 ChemAxon
Polar Surface Area 83.63 A2 ChemAxon
Rotatable Bond Count 4 ChemAxon
Refractivity 59.16 ChemAxon
Polarizability 24.37 ChemAxon
Formal Charge 0 ChemAxon
Physiological Charge 0 ChemAxon
Spectra
Not Available
Biological Properties
Cellular Locations Not Available
Biofluid Locations
  • Blood
  • Urine
Tissue Location Not Available
Pathways Not Available
Normal Concentrations
Biofluid Status Value Age Sex Condition Comments
Blood Expected and not Quantified
Not Applicable Not Available Not Available Normal Inferred from detection in urine
Urine Detected and Quantified
Article_icon
0.03 umol/mmol creatinine Adult (>18 years old) Both Normal Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease References None
Associated OMIM IDs None
DrugBank ID Not Available
Phenol Explorer Compound ID Not Available
Phenol Explorer Metabolite ID Not Available
FoodDB ID FDB027947
KNApSAcK ID Not Available
Chemspider ID 3196828 Link_out
KEGG Compound ID Not Available
BioCyc ID Not Available
BiGG ID Not Available
Wikipedia Link Not Available
NuGOwiki Link HMDB11175 Link_out
Metagene Link HMDB11175 Link_out
METLIN ID Not Available
PubChem Compound 44369311 Link_out
PDB ID Not Available
ChEBI ID 356659 Link_out
References
Synthesis Reference Not Available
Material Safety Data Sheet (MSDS) Not Available
General References Not Available