L-Histidine
precursor
Showing entry for L-Histidine
Identification
- PhytoHub ID
- PHUB002343
- Name
- L-Histidine
- Systematic Name
- (2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid
- Synonyms
- (S)-1H-Imidazole-4-alanine
- Histidine
- Histidine, L isomer
- Histidine, L-isomer
- L-Histidine
- L-isomer Histidine
- CAS Number
- 71-00-1
- Average Mass
- 155.157
- Monoisotopic Mass
- 155.069476542
- Chemical Formula
- C6H9N3O2
- IUPAC Name
- (2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid
- InChI Key
- HNDVDQJCIGZPNO-YFKPBYRVSA-N
- InChI Identifier
InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/t5-/m0/s1
- SMILES
[H][C@](N)(CC1=CN=CN1)C(O)=O
- Structure
Structure for L-Histidine
Calculated Properties
- Solubility (ALOGPS)
- 6.20e+01 g/l
- LogS (ALOGPS)
- -0.40
- LogP (ALOGPS)
- -3.09
- Hydrogen Acceptors
- 4
- Hydrogen Donors
- 3
- Rotatable Bond Count
- 3
- Polar Surface Area
- 92.0
- Refractivity
- 38.059
- Polarizability
- 14.754739034097117
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- 9.437137464922305
- pKa (strongest acidic)
- 1.849972676704367
- Number of Rings
- 1
- Rule of Five
- Yes
- Bioavailability
- Yes
- Ghose Filter
- No
- Veber's Rule
- No
- MDDR-like Rule
- No
External Links
- PubChem
- 6274
Taxonomy as Food Phytochemical
- Family
- N-containing compounds
- Class
- Amino acids
- Sub-class
- Not Available
Classyfire Taxonomy
- Kingdom Name
- Organic compounds
- Class
- Carboxylic acids and derivatives
- Super-class
- Organic acids and derivatives
- Sub-class
- Amino acids, peptides, and analogues
- Direct Parent Name
- Histidine and derivatives
- Alternative Parent Names
- ["Amino acids", "Aralkylamines", "Azacyclic compounds", "Carbonyl compounds", "Carboxylic acids", "Heteroaromatic compounds", "Hydrocarbon derivatives", "Imidazolyl carboxylic acids and derivatives", "L-alpha-amino acids", "Monoalkylamines", "Monocarboxylic acids and derivatives", "Organic oxides", "Organopnictogen compounds"]
- External Descriptor Annotations
- ["Common amino acids", "L-alpha-amino acid", "histidine", "proteinogenic amino acid"]
- Substituent Names
- ["Alpha-amino acid", "Amine", "Amino acid", "Aralkylamine", "Aromatic heteromonocyclic compound", "Azacycle", "Azole", "Carbonyl group", "Carboxylic acid", "Heteroaromatic compound", "Histidine or derivatives", "Hydrocarbon derivative", "Imidazole", "Imidazolyl carboxylic acid derivative", "L-alpha-amino acid", "Monocarboxylic acid or derivatives", "Organic nitrogen compound", "Organic oxide", "Organic oxygen compound", "Organoheterocyclic compound", "Organonitrogen compound", "Organooxygen compound", "Organopnictogen compound", "Primary aliphatic amine", "Primary amine"]
Spectra from Online Resources
No spectra information available
Food Sources
| Name | Group | |||
|---|---|---|---|---|
| Green bean | Vegetables, Other vegetables | Publications | Show |
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 | ||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| L-Histidine | 3-methylhistidine | human | urine | host metabolism | Not Available | Not Available | Not Available | C7H11N3O2 | 169.085126606 | Detailed Intervention Studies | Publications |
Inter-Individual Variations in Metabolism
| Food Phytochemical | Metabolite | Effect | Value |
|---|