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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-06 21:02:56 UTC
Update Date2021-09-14 15:43:52 UTC
HMDB IDHMDB0028904
Secondary Accession Numbers
  • HMDB28904
Metabolite Identification
Common NameIsoleucyl-Cysteine
DescriptionIsoleucyl-Cysteine is a dipeptide composed of isoleucine and cysteine. 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
Thumb
Synonyms
ValueSource
I-C dipeptideHMDB
IC dipeptideHMDB
Ile-cysHMDB
Isoleucine cysteine dipeptideHMDB
Isoleucine-cysteine dipeptideHMDB
IsoleucylcysteineHMDB
L-Isoleucyl-L-cysteineHMDB
2-[(2-Amino-1-hydroxy-3-methylpentylidene)amino]-3-sulfanylpropanoateHMDB
2-[(2-Amino-1-hydroxy-3-methylpentylidene)amino]-3-sulphanylpropanoateHMDB
2-[(2-Amino-1-hydroxy-3-methylpentylidene)amino]-3-sulphanylpropanoic acidHMDB
Chemical FormulaC9H18N2O3S
Average Molecular Weight234.316
Monoisotopic Molecular Weight234.103813142
IUPAC Name2-(2-amino-3-methylpentanamido)-3-sulfanylpropanoic acid
Traditional Name2-(2-amino-3-methylpentanamido)-3-sulfanylpropanoic acid
CAS Registry NumberNot Available
SMILES
CCC(C)C(N)C(=O)NC(CS)C(O)=O
InChI Identifier
InChI=1S/C9H18N2O3S/c1-3-5(2)7(10)8(12)11-6(4-15)9(13)14/h5-7,15H,3-4,10H2,1-2H3,(H,11,12)(H,13,14)
InChI KeyJSZMKEYEVLDPDO-UHFFFAOYSA-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
  • N-acyl-alpha amino acid or derivatives
  • Alpha-amino acid amide
  • Cysteine or derivatives
  • Alpha-amino acid or derivatives
  • Fatty amide
  • N-acyl-amine
  • Fatty acyl
  • Amino acid or derivatives
  • Carboxamide group
  • Amino acid
  • Secondary carboxylic acid amide
  • Monocarboxylic acid or derivatives
  • Carboxylic acid
  • Alkylthiol
  • Organonitrogen compound
  • Hydrocarbon derivative
  • Organic nitrogen compound
  • Organic oxide
  • Primary aliphatic amine
  • Organopnictogen compound
  • Carbonyl group
  • Amine
  • Organooxygen compound
  • Organosulfur compound
  • Primary amine
  • Organic oxygen compound
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic 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-2.0Extrapolated
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 IDFDB111933
KNApSAcK IDNot Available
Chemspider ID16568322
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound18218217
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. Duerfahrt T, Eppelmann K, Muller R, Marahiel MA: Rational design of a bimodular model system for the investigation of heterocyclization in nonribosomal peptide biosynthesis. Chem Biol. 2004 Feb;11(2):261-71. [PubMed:15123287 ]
  2. Ishihara H, Shimura K: Further evidence for the presence of a thiazoline ring in the isoleucylcysteine dipeptide intermediate in bacitracin biosynthesis. FEBS Lett. 1988 Jan 4;226(2):319-23. [PubMed:3338562 ]