Tryptophan
precursor
Showing entry for Tryptophan
Identification
- PhytoHub ID
- PHUB001837
- Name
- Tryptophan
- Systematic Name
- Not Available
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 204.229
- Monoisotopic Mass
- 204.089877634
- Chemical Formula
- C11H12N2O2
- IUPAC Name
- 2-amino-3-(1H-indol-3-yl)propanoic acid
- InChI Key
- QIVBCDIJIAJPQS-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)
- SMILES
NC(CC1=CNC2=C1C=CC=C2)C(O)=O
- Structure
Calculated Properties
- Solubility (ALOGPS)
- 1.36e+00 g/l
- LogS (ALOGPS)
- -2.18
- LogP (ALOGPS)
- -1.10
- Hydrogen Acceptors
- 3
- Hydrogen Donors
- 3
- Rotatable Bond Count
- 3
- Polar Surface Area
- 79.11
- Refractivity
- 56.2028
- Polarizability
- 21.212448041660398
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- 9.396082567807317
- pKa (strongest acidic)
- 2.5439286383469852
- Number of Rings
- 2
- Rule of Five
- Yes
- Bioavailability
- Yes
- Ghose Filter
- No
- Veber's Rule
- No
- MDDR-like Rule
- No
External Links
No external links
Taxonomy as Food Phytochemical
- Family
- N-containing compounds
- Class
- Amino acids
- Sub-class
- Not Available
Classyfire Taxonomy
- Kingdom Name
- Organic compounds
- Class
- Indoles and derivatives
- Super-class
- Organoheterocyclic compounds
- Sub-class
- Indolyl carboxylic acids and derivatives
- Direct Parent Name
- Indolyl carboxylic acids and derivatives
- Alternative Parent Names
- ["3-alkylindoles", "Alpha amino acids", "Amino acids", "Aralkylamines", "Azacyclic compounds", "Benzenoids", "Carbonyl compounds", "Carboxylic acids", "Heteroaromatic compounds", "Hydrocarbon derivatives", "Monoalkylamines", "Monocarboxylic acids and derivatives", "Organic oxides", "Organopnictogen compounds", "Substituted pyrroles"]
- External Descriptor Annotations
- ["alpha-amino acid", "aminoalkylindole", "aromatic amino acid"]
- Substituent Names
- ["3-alkylindole", "Alpha-amino acid", "Alpha-amino acid or derivatives", "Amine", "Amino acid", "Amino acid or derivatives", "Aralkylamine", "Aromatic heteropolycyclic compound", "Azacycle", "Benzenoid", "Carbonyl group", "Carboxylic acid", "Carboxylic acid derivative", "Heteroaromatic compound", "Hydrocarbon derivative", "Indole", "Indolyl carboxylic acid derivative", "Monocarboxylic acid or derivatives", "Organic nitrogen compound", "Organic oxide", "Organic oxygen compound", "Organonitrogen compound", "Organooxygen compound", "Organopnictogen compound", "Primary aliphatic amine", "Primary amine", "Pyrrole", "Substituted pyrrole"]
Spectra from Online Resources
No spectra information available
Food Sources
Role as Biomarker of intake
No roles as Biomarker of intake found
Metabolism
Food Phytochemical | Metabolite | Species | Biofluids | Origin | TMax | CMax | Urinary Excretion | Formula | Monoisotopic mass | ||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Tryptophan | Xanthurenic acid | human | urine | unknown | Not Available | Not Available | Not Available | C10H7NO4 | 205.037507709 | Detailed Intervention Studies | Publications |
Inter-Individual Variations Metabolism
No data on inter-individual variations available