| Record Information |
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| Version | 1.0 |
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| Creation date | 2015-10-09 22:31:16 UTC |
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| Update date | 2017-01-19 02:36:27 UTC |
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| FoodComEx ID | PC000541 |
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| FoodDB Record | FDB022723 |
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| Chemical Information |
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| Name | 3-Chlorotyrosine |
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| Description | 3-Chlorotyrosine, a specific marker of myeloperoxidase-catalyzed oxidation, is markedly elevated in low density lipoprotein isolated from human atherosclerotic intima. (PMID 9151778) [HMDB] |
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| CAS Number | 7423-93-0 |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| 3-Chloro-L-tyrosine | hmdb | | Chlorotyrosine | HMDB | | L-(8CI)-3-chloro-Tyrosine | hmdb | | Monochlorotyrosine | hmdb |
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| Chemical Formula | C9H10ClNO3 |
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| IUPAC name | 2-amino-3-(3-chloro-4-hydroxyphenyl)propanoic acid |
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| InChI Identifier | InChI=1S/C9H10ClNO3/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14/h1-3,7,12H,4,11H2,(H,13,14) |
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| InChI Key | ACWBBAGYTKWBCD-UHFFFAOYSA-N |
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| Isomeric SMILES | NC(CC1=CC(Cl)=C(O)C=C1)C(O)=O |
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| Average Molecular Weight | 215.634 |
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| Monoisotopic Molecular Weight | 215.034920898 |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as tyrosine and derivatives. Tyrosine and derivatives are compounds containing tyrosine or a derivative thereof resulting from reaction of tyrosine 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 | Tyrosine and derivatives |
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| Alternative Parents | |
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| Substituents | - Tyrosine or derivatives
- Phenylalanine or derivatives
- 3-phenylpropanoic-acid
- Alpha-amino acid
- Amphetamine or derivatives
- 2-chlorophenol
- 2-halophenol
- 1-hydroxy-2-unsubstituted benzenoid
- Halobenzene
- Chlorobenzene
- Phenol
- Aralkylamine
- Aryl halide
- Benzenoid
- Aryl chloride
- Monocyclic benzene moiety
- Amino acid
- Monocarboxylic acid or derivatives
- Carboxylic acid
- Organic nitrogen compound
- Organohalogen compound
- Primary aliphatic amine
- Organochloride
- Organonitrogen compound
- Organooxygen compound
- Primary amine
- Carbonyl group
- Hydrocarbon derivative
- Organic oxide
- Organopnictogen compound
- Organic oxygen compound
- Amine
- Aromatic homomonocyclic compound
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| Molecular Framework | Aromatic homomonocyclic compounds |
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| External Descriptors | Not Available |
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| Physico-Chemical Properties - Experimental |
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| Property | Value | Reference |
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| Experimental logP | Not Available | |
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| Experimental Water Solubility | Not Available | |
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| Melting Point | Not Available | |
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| Foods of Origin |
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| Food | Content Range | Average | Reference |
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| Food | | | Reference |
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| Production Data |
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| Production Method | commercial |
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| Production Method Reference | Not Available |
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| Production Method Reference File | Not Available |
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| Quantity Available | Production upon request, up to 30 mg |
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| Delivery Time | Not Available |
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| Storage Form | solid |
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| Storage Conditions | -80°C |
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| Stability | Not Available |
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| Purity | Not Available |
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| Spectra |
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| Spectral Data Upon Request | Not Available |
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| Provider Information |
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| Commercial Vendors |
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| AKSci | 8080AF |
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| MetaSci | HMDB0001885 |
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| Sigma-Aldrich | HMDB0001885 |
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| Toronto Research Chemicals | C423100 |
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