Record Information |
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Version | 1.0 |
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Creation Date | 2016-05-26 05:41:23 UTC |
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Update Date | 2016-11-09 01:21:18 UTC |
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Accession Number | CHEM035359 |
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Identification |
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Common Name | L-Threo-3-phenylserine |
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Class | Small Molecule |
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Description | |
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Contaminant Sources | |
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Contaminant Type | Not Available |
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Chemical Structure | |
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Synonyms | Value | Source |
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L-threo-b-Phenylserine | HMDB | L-threo-beta-Phenylserine | HMDB | threo-b-Hydroxy-L-phenylalanine | HMDB | threo-beta-Hydroxy-L-phenylalanine | HMDB | beta-Phenylserine | MeSH, HMDB | threo-beta-Phenylserine | MeSH, HMDB | beta-Hydroxyphenylalanine, erythro-(DL)-isomer | MeSH, HMDB | beta-Hydroxyphenylalanine, threo-(DL)-isomer | MeSH, HMDB | beta-Hydroxyphenylalanine | MeSH, HMDB | beta-Hydroxyphenylalanine, threo-(L)-isomer | MeSH, HMDB | (2Rs,3Sr)-2-amino-3-Hydroxy-3-phenylpropanoic acid | MeSH, HMDB | beta-Hydroxyphenylalanine, (DL)-isomer | MeSH, HMDB | (2S)-2-Amino-3-hydroxy-3-phenylpropanoate | Generator, HMDB | 3-Phenylserine | MeSH, HMDB | Phenylserine | MeSH, HMDB | Threo-DL-phenyl-serine | MeSH, HMDB | DL-3-Phenylserine | MeSH, HMDB |
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Chemical Formula | C9H11NO3 |
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Average Molecular Mass | 181.189 g/mol |
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Monoisotopic Mass | 181.074 g/mol |
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CAS Registry Number | 6254-48-4 |
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IUPAC Name | (2S)-2-amino-3-hydroxy-3-phenylpropanoic acid |
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Traditional Name | 3-phenyl-L-serine |
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SMILES | N[C@@H](C(O)C1=CC=CC=C1)C(O)=O |
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InChI Identifier | InChI=1S/C9H11NO3/c10-7(9(12)13)8(11)6-4-2-1-3-5-6/h1-5,7-8,11H,10H2,(H,12,13)/t7-,8?/m0/s1 |
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InChI Key | VHVGNTVUSQUXPS-JAMMHHFISA-N |
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Chemical Taxonomy |
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Description | belongs to the class of organic compounds known as phenylalanine and derivatives. Phenylalanine and derivatives are compounds containing phenylalanine or a derivative thereof resulting from reaction of phenylalanine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. |
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Kingdom | Organic compounds |
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Super Class | Organic acids and derivatives |
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Class | Carboxylic acids and derivatives |
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Sub Class | Amino acids, peptides, and analogues |
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Direct Parent | Phenylalanine and derivatives |
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Alternative Parents | |
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Substituents | - Phenylalanine or derivatives
- 3-phenylpropanoic-acid
- Alpha-amino acid
- L-alpha-amino acid
- Beta-hydroxy acid
- Aralkylamine
- Monocyclic benzene moiety
- Benzenoid
- Hydroxy acid
- Amino acid
- Secondary alcohol
- Carboxylic acid
- Monocarboxylic acid or derivatives
- Organopnictogen compound
- Organic nitrogen compound
- Organooxygen compound
- Organonitrogen compound
- Primary amine
- Primary aliphatic amine
- Aromatic alcohol
- Alcohol
- Carbonyl group
- Hydrocarbon derivative
- Organic oxygen compound
- Amine
- Organic oxide
- Aromatic homomonocyclic compound
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Molecular Framework | Aromatic homomonocyclic compounds |
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External Descriptors | Not Available |
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Biological Properties |
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Status | Detected and Not Quantified |
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Origin | Not Available |
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Cellular Locations | Not Available |
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Biofluid Locations | Not Available |
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Tissue Locations | Not Available |
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Pathways | Not Available |
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Applications | Not Available |
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Biological Roles | Not Available |
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Chemical Roles | Not Available |
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Physical Properties |
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State | Not Available |
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Appearance | Not Available |
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Experimental Properties | Property | Value |
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Melting Point | Not Available | Boiling Point | Not Available | Solubility | Not Available |
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Predicted Properties | |
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Spectra |
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Spectra | Spectrum Type | Description | Splash Key | View |
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Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive | splash10-0a4i-9800000000-ac17c8cf04308cfbf46e | Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (2 TMS) - 70eV, Positive | splash10-004i-5920000000-af65a901a0e2ee257a0f | Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive | Not Available | Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive | Not Available | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-01qi-0900000000-23514fbcf274c89d0cb7 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-00kr-0900000000-f372732e79c55b239dd9 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-05r0-9300000000-ba241a9d0d7acb3fad1f | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-001i-0900000000-efa96cba215699148b92 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0aei-4900000000-d1f163f6dba4af36de4e | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-00di-9000000000-b1e85af153ad7acb90ff | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-03e9-1900000000-6a8534e62614caf02826 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-062a-9700000000-111064f1b9bd7957351e | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-016r-9800000000-097aee8d9061f5e463d5 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-02mi-0900000000-61f6d72660986df76164 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-00xr-0900000000-60667427da53fcb17439 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-004i-9000000000-3052f2cb9b8f0395cd33 | Spectrum | 1D NMR | 1H NMR Spectrum | Not Available | Spectrum | 1D NMR | 13C NMR Spectrum | Not Available | Spectrum | 1D NMR | 1H NMR Spectrum | Not Available | Spectrum | 1D NMR | 13C NMR Spectrum | Not Available | Spectrum | 1D NMR | 1H NMR Spectrum | Not Available | Spectrum | 1D NMR | 13C NMR Spectrum | Not Available | Spectrum | 1D NMR | 1H NMR Spectrum | Not Available | Spectrum | 1D NMR | 13C NMR Spectrum | Not Available | Spectrum | 1D NMR | 1H NMR Spectrum | Not Available | Spectrum | 1D NMR | 13C NMR Spectrum | Not Available | Spectrum | 1D NMR | 1H NMR Spectrum | Not Available | Spectrum | 1D NMR | 13C NMR Spectrum | Not Available | Spectrum | 1D NMR | 1H NMR Spectrum | Not Available | Spectrum | 1D NMR | 13C NMR Spectrum | Not Available | Spectrum | 1D NMR | 1H NMR Spectrum | Not Available | Spectrum | 1D NMR | 13C NMR Spectrum | Not Available | Spectrum | 1D NMR | 1H NMR Spectrum | Not Available | Spectrum | 1D NMR | 13C NMR Spectrum | Not Available | Spectrum | 1D NMR | 1H NMR Spectrum | Not Available | Spectrum | 1D NMR | 13C NMR Spectrum | Not Available | Spectrum |
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Toxicity Profile |
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Route of Exposure | Not Available |
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Mechanism of Toxicity | Not Available |
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Metabolism | Not Available |
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Toxicity Values | Not Available |
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Lethal Dose | Not Available |
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Carcinogenicity (IARC Classification) | Not Available |
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Uses/Sources | Not Available |
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Minimum Risk Level | Not Available |
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Health Effects | Not Available |
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Symptoms | Not Available |
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Treatment | Not Available |
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Concentrations |
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| Not Available |
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External Links |
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DrugBank ID | Not Available |
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HMDB ID | HMDB0002184 |
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FooDB ID | FDB022892 |
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Phenol Explorer ID | Not Available |
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KNApSAcK ID | Not Available |
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BiGG ID | Not Available |
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BioCyc ID | Not Available |
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METLIN ID | 6532 |
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PDB ID | Not Available |
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Wikipedia Link | Not Available |
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Chemspider ID | 13628311 |
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ChEBI ID | Not Available |
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PubChem Compound ID | 12314153 |
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Kegg Compound ID | Not Available |
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YMDB ID | Not Available |
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ECMDB ID | Not Available |
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References |
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Synthesis Reference | Not Available |
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MSDS | Not Available |
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General References | |
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