Hmdb loader
Show more...Show more...Show more...
Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-06 21:02:57 UTC
Update Date2021-09-14 15:45:02 UTC
HMDB IDHMDB0028908
Secondary Accession Numbers
  • HMDB28908
Metabolite Identification
Common NameIsoleucylhydroxyproline
DescriptionIsoleucylhydroxyproline, also known as i-HP dipeptide or ile-hpro, 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. Isoleucylhydroxyproline has been detected, but not quantified in, a few different foods, such as anatidaes (Anatidae), chickens (Gallus gallus), and domestic pigs (Sus scrofa domestica). This could make isoleucylhydroxyproline a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on Isoleucylhydroxyproline.
Structure
Thumb
Synonyms
ValueSource
Isoleucine hydroxyproline dipeptideHMDB
I-HP dipeptideHMDB
IHP dipeptideHMDB
Ile-hproHMDB
Isoleucine-hydroxyproline dipeptideHMDB
L-Isoleucyl-L-hydroxyprolineHMDB
(4R)-L-Isoleucyl-4-hydroxy-L-prolineHMDB
Ile-hypHMDB
Isoleucyl-hydroxyprolineHMDB
L-Ile-L-hypHMDB
(2S,4R)-1-[(2S,3S)-2-Amino-3-methylpentanoyl]-4-hydroxypyrrolidine-2-carboxylateHMDB
IsoleucylhydroxyprolineHMDB
Chemical FormulaC11H20N2O4
Average Molecular Weight244.291
Monoisotopic Molecular Weight244.142307132
IUPAC Name(2S,4R)-1-[(2S,3S)-2-amino-3-methylpentanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
Traditional Name(2S,4R)-1-[(2S,3S)-2-amino-3-methylpentanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CAS Registry Number90965-80-3
SMILES
CC[C@H](C)[C@H](N)C(=O)N1C[C@H](O)C[C@H]1C(O)=O
InChI Identifier
InChI=1S/C11H20N2O4/c1-3-6(2)9(12)10(15)13-5-7(14)4-8(13)11(16)17/h6-9,14H,3-5,12H2,1-2H3,(H,16,17)/t6-,7+,8-,9-/m0/s1
InChI KeyIFZSZULHIWFRSB-KZVJFYERSA-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
  • Isoleucine or derivatives
  • N-acyl-alpha amino acid or derivatives
  • N-acyl-alpha-amino acid
  • N-acyl-l-alpha-amino acid
  • Proline or derivatives
  • Alpha-amino acid amide
  • Alpha-amino acid or derivatives
  • Pyrrolidine carboxylic acid or derivatives
  • Pyrrolidine carboxylic acid
  • N-acylpyrrolidine
  • Tertiary carboxylic acid amide
  • Pyrrolidine
  • Amino acid
  • Carboxamide group
  • Secondary alcohol
  • Amino acid or derivatives
  • Carboxylic acid
  • Monocarboxylic acid or derivatives
  • Azacycle
  • Organoheterocyclic compound
  • Organic nitrogen compound
  • Primary aliphatic amine
  • Alcohol
  • Hydrocarbon derivative
  • Carbonyl group
  • Organic oxide
  • Amine
  • Organic oxygen compound
  • Primary amine
  • Organonitrogen compound
  • Organooxygen 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
LogP-2.92Extrapolated
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
Predicted Chromatographic Properties
Spectra
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 IDFDB111937
KNApSAcK IDNot Available
Chemspider ID43627825
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound25227053
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