Glycine
precursor
Showing entry for Glycine
Identification
- PhytoHub ID
- PHUB002356
- Name
- Glycine
- Systematic Name
- 2-aminoacetic acid
- Synonyms
- Not Available
- CAS Number
- 25718-94-9
- Average Mass
- 75.067
- Monoisotopic Mass
- 75.032028405
- Chemical Formula
- C2H5NO2
- IUPAC Name
- 2-aminoacetic acid
- InChI Key
- DHMQDGOQFOQNFH-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)
- SMILES
NCC(O)=O
- Structure
Structure for Glycine
Calculated Properties
- Solubility (ALOGPS)
- 5.52e+02 g/l
- LogS (ALOGPS)
- 0.87
- LogP (ALOGPS)
- -3.34
- Hydrogen Acceptors
- 3
- Hydrogen Donors
- 2
- Rotatable Bond Count
- 1
- Polar Surface Area
- 63.32000000000001
- Refractivity
- 16.0034
- Polarizability
- 6.647790932368129
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- 9.240341660583645
- pKa (strongest acidic)
- 2.3074568824727404
- Number of Rings
- 0
- 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
- Carboxylic acids and derivatives
- Super-class
- Organic acids and derivatives
- Sub-class
- Amino acids, peptides, and analogues
- Direct Parent Name
- Alpha amino acids
- Alternative Parent Names
- ["Amino acids", "Carbonyl compounds", "Carboxylic acids", "Hydrocarbon derivatives", "Monoalkylamines", "Monocarboxylic acids and derivatives", "Organic oxides", "Organopnictogen compounds"]
- External Descriptor Annotations
- ["Amino acids", "Common amino acids", "alpha-amino acid", "proteinogenic amino acid", "serine family amino acid"]
- Substituent Names
- ["Aliphatic acyclic compound", "Alpha-amino acid", "Amine", "Amino acid", "Carbonyl group", "Carboxylic acid", "Hydrocarbon derivative", "Monocarboxylic acid or derivatives", "Organic nitrogen compound", "Organic oxide", "Organic oxygen compound", "Organonitrogen compound", "Organooxygen compound", "Organopnictogen compound", "Primary aliphatic amine", "Primary amine"]
Spectra from Online Resources
No spectra information available
Food Sources
| Name | Group | |||
|---|---|---|---|---|
| Common bean | Pulses and beans | 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 | ||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Glycine | Dimethylglycine | human | urine | unknown | Not Available | Not Available | Not Available | C4H9NO2 | 103.063328534 | Detailed Intervention Studies | Publications |
Inter-Individual Variations in Metabolism
| Food Phytochemical | Metabolite | Effect | Value |
|---|