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
Similar Structures

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

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

NameGroup
AsparagusVegetables, Other vegetables PublicationsShow
AvocadoVegetables, Fruit vegetables PublicationsShow
BananaFruit, Tropical fruits PublicationsShow
Bell pepper (Capsicum annuum, mild varieties)Vegetables, Fruit vegetables PublicationsShow
Bitter melonVegetables, Other vegetables PublicationsShow
BroccoliVegetables, Cabbages PublicationsShow
CauliflowerVegetables, Cabbages PublicationsShow
Cherry tomatoVegetables, Fruit vegetables PublicationsShow
GingerHerbs and Spices PublicationsShow
Grape greenFruit, Berries PublicationsShow
LettuceVegetables, Leaf vegetables PublicationsShow
MikanFruit, Citrus PublicationsShow
OkraCondiments and seasonings PublicationsShow
OnionVegetables, Onion-family PublicationsShow
PeachFruit, Drupes PublicationsShow
PineappleFruit, Tropical fruits PublicationsShow
PotatoVegetables, Tubers PublicationsShow
SpinachVegetables, Leaf vegetables PublicationsShow
Spring onionVegetables, Onion-family PublicationsShow
StrawberryFruit, Berries PublicationsShow
TomatoVegetables, Fruit vegetables PublicationsShow
WatermelonVegetables, Gourds PublicationsShow

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

Food PhytochemicalMetaboliteSpeciesBiofluidsOriginTMaxCMaxUrinary ExcretionFormulaMonoisotopic mass
Tryptophan Xanthurenic acidhumanurineunknownNot AvailableNot AvailableNot AvailableC10H7NO4205.037507709 Detailed Intervention Studies Publications

Inter-Individual Variations Metabolism

No data on inter-individual variations available

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