| Common Name |
Histidinyl-Tryptophan
| Description |
Histidinyl-Tryptophan is a dipeptide composed of histidine and tryptophan. 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 |
MOLSDF3D-SDFPDBSMILESInChI View 3D Structure
Structure for HMDB28896 (Histidinyl-Tryptophan)
| Synonyms |
| Value |
Source |
H-W DipeptideHMDB
His-TRPHMDB
Histidine tryptophan dipeptideHMDB
Histidine-tryptophan dipeptideHMDB
HistidinyltryptophanHMDB
HW DipeptideHMDB
L-Histidinyl-L-tryptophanHMDB
| Chemical Formlia |
C17H19N5O3
| Average Molecliar Weight |
341.3645
| Monoisotopic Molecliar Weight |
341.148789499
| IUPAC Name |
2-[2-amino-3-(1H-imidazol-5-yl)propanamido]-3-(1H-indol-3-yl)propanoic acid
| Traditional Name |
2-[2-amino-3-(3H-imidazol-4-yl)propanamido]-3-(1H-indol-3-yl)propanoic acid
| CAS Registry Number |
Not Available
| SMILES |
NC(CC1=CN=CN1)C(=O)NC(CC1=CNC2=CC=CC=C12)C(O)=O
| InChI Identifier |
InChI=1S/C17H19N5O3/c18-13(6-11-8-19-9-21-11)16(23)22-15(17(24)25)5-10-7-20-14-4-2-1-3-12(10)14/h1-4,7-9,13,15,20H,5-6,18H2,(H,19,21)(H,22,23)(H,24,25)
| InChI Key |
FBTYOQIYBULKEH-UHFFFAOYSA-N
| Chemical Taxonomy |
| Description |
This compound belongs to the class of chemical entities known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond.
| Kingdom |
Chemical entities
| Super Class |
Organic compounds
| Class |
Organic acids and derivatives
| Sub Class |
Carboxylic acids and derivatives
| Direct Parent |
Dipeptides
| Alternative Parents |
Histidine and derivatives
N-acyl-alpha amino acids
Alpha amino acid amides
Indolyl carboxylic acids and derivatives
3-alkylindoles
Imidazolyl carboxylic acids and derivatives
Aralkylamines
Substituted pyrroles
Benzenoids
Fatty amides
Heteroaromatic compounds
Amino acids
Secondary carboxylic acid amides
Carboxylic acids
Azacyclic compounds
Monocarboxylic acids and derivatives
Organic oxides
Carbonyl compounds
Organopnictogen compounds
Hydrocarbon derivatives
Monoalkylamines
| Substituents |
Alpha-dipeptide
Histidine or derivatives
N-acyl-alpha-amino acid
N-acyl-alpha amino acid or derivatives
Alpha-amino acid amide
Indolyl carboxylic acid derivative
Alpha-amino acid or derivatives
3-alkylindole
Indole or derivatives
Indole
Imidazolyl carboxylic acid derivative
Aralkylamine
Benzenoid
Fatty acyl
Substituted pyrrole
Fatty amide
Imidazole
Pyrrole
Heteroaromatic compound
Azole
Secondary carboxylic acid amide
Carboxamide group
Amino acid
Amino acid or derivatives
Carboxylic acid
Azacycle
Organoheterocyclic compound
Monocarboxylic acid or derivatives
Primary amine
Amine
Organic oxygen compound
Organic nitrogen compound
Hydrocarbon derivative
Carbonyl group
Organic oxide
Organooxygen compound
Organonitrogen compound
Organopnictogen compound
Primary aliphatic amine
Aromatic heteropolycyclic compound
| Molecliar Framework |
Aromatic heteropolycyclic compounds
| External Descriptors |
Not Available
| Ontology |
| Status |
Expected but not Quantified
| Origin |
Endogenous
| Biofunction |
Not Available
| Application |
Not Available
| Cellliar locations |
Not Available
| Physical Properties |
| State |
Solid
| Experimental Properties |
| Property |
Value |
Reference |
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogP-2.17Extrapolated
| Predicted Properties |
| Property |
Value |
Source |
Water Solubility0.24 mg/mLALOGPS
logP-1.1ALOGPS
logP-2.2ChemAxon
logS-3.1ALOGPS
pKa (Strongest Acidic)3.62ChemAxon
pKa (Strongest Basic)8.02ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area136.89 Å2ChemAxon
Rotatable Bond Count7ChemAxon
Refractivity91.06 m3·mol-1ChemAxon
Polarizability35.22 Å3ChemAxon
Number of Rings3ChemAxon
Bioavailability1ChemAxon
Rlie of FiveYesChemAxon
Ghose FilterYesChemAxon
Vebers RlieYesChemAxon
MDDR-like RlieYesChemAxon
| Spectra |
| Spectra |
Not Available
| Biological Properties |
| Cellliar Locations |
Not Available
| Biofluid Locations |
Not Available
| Tissue Location |
Not Available
| Pathways |
Not Available
| Normal Concentrations |
| Not Available |
| Abnormal Concentrations |
|
Not Available
| Associated Disorders and Diseases |
| Disease References |
None
| Associated OMIM IDs |
None
| External Links |
| DrugBank ID |
Not Available
| DrugBank Metabolite ID |
Not Available
| Phenol Explorer Compound ID |
Not Available
| Phenol Explorer Metabolite ID |
Not Available
| FoodDB ID |
Not Available
| KNApSAcK ID |
Not Available
| Chemspider ID |
Not Available
| KEGG Compound ID |
Not Available
| BioCyc ID |
Not Available
| BiGG ID |
Not Available
| Wikipedia Link |
Not Available
| NuGOwiki Link |
HMDB28896
| Metagene Link |
HMDB28896
| METLIN ID |
Not Available
| PubChem Compound |
Not Available
| PDB ID |
Not Available
| ChEBI ID |
Not Available
Product: RIPA-56
References |
| Synthesis Reference |
Not Available |
| Material Safety Data Sheet (MSDS) |
Not Available |
| General References |
Not Available |
PMID: 3720840