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Human Metabolome Database Version 3.5

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Showing metabocard for Tryptophanamide (HMDB13318)

Record Information
Version 3.5
Creation Date 2009-11-30 08:52:52 -0700
Update Date 2013-02-08 17:30:03 -0700
HMDB ID HMDB13318
Secondary Accession Numbers None
Metabolite Identification
Common Name Tryptophanamide
Description Tryptophanamide is a substrate for tryptophan aminopeptidase (EC: 3.5.1.57)and is converted to L-Tryptophan via enzymatic hydrolysis.
Structure Thumb
Download: MOL | SDF | SMILES | InChI
Display: 2D Structure | 3D Structure
Synonyms
  1. (S)-alpha-Amino-1H-indole-3-propionamide
  2. 2-Amino-3-(3-indolyl)-Propanamide
  3. alpha-Amino-(S)-1H-Indole-3-propanamide
  4. alpha-Amino-1H-indole-3-propanamide
  5. L-Tryptophanamide
Chemical Formula C11H13N3O
Average Molecular Weight 203.2404
Monoisotopic Molecular Weight 203.105862053
IUPAC Name 2-amino-3-(1H-indol-3-yl)propanamide
Traditional IUPAC Name tryptophan amide
CAS Registry Number 20696-57-5
SMILES NC(CC1=CNC2=CC=CC=C12)C(N)=O
InChI Identifier InChI=1S/C11H13N3O/c12-9(11(13)15)5-7-6-14-10-4-2-1-3-8(7)10/h1-4,6,9,14H,5,12H2,(H2,13,15)
InChI Key JLSKPBDKNIXMBS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom Organic Compounds
Super Class Amino Acids, Peptides, and Analogues
Class Amino Acids and Derivatives
Sub Class Alpha Amino Acids and Derivatives
Other Descriptors
  • Aromatic Heteropolycyclic Compounds
Substituents
  • Carboxamide Group
  • Indole
  • Primary Aliphatic Amine (Alkylamine)
  • Primary Carboxylic Acid Amide
  • Pyrrole
  • Triptan
  • Tryptamine
Direct Parent Alpha Amino Acids and Derivatives
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 2.63 g/L ALOGPS
LogP 0.35 ALOGPS
LogP 0.37 ChemAxon
LogS -1.89 ALOGPS
pKa (strongest acidic) 15.95 ChemAxon
pKa (strongest basic) 7.97 ChemAxon
Hydrogen Acceptor Count 2 ChemAxon
Hydrogen Donor Count 3 ChemAxon
Polar Surface Area 84.9 A2 ChemAxon
Rotatable Bond Count 3 ChemAxon
Refractivity 58.03 ChemAxon
Polarizability 21.61 ChemAxon
Formal Charge 0 ChemAxon
Physiological Charge 1 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
0.28 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 FDB029380
KNApSAcK ID Not Available
Chemspider ID 80647 Link_out
KEGG Compound ID C00977 Link_out
BioCyc ID Not Available
BiGG ID Not Available
Wikipedia Link Not Available
NuGOwiki Link HMDB13318 Link_out
Metagene Link HMDB13318 Link_out
METLIN ID Not Available
PubChem Compound 89366 Link_out
PDB ID Not Available
ChEBI ID 791437 Link_out
References
Synthesis Reference Not Available
Material Safety Data Sheet (MSDS) Not Available
General References Not Available