| Record Information |
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| Version | 1.0 |
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| Creation date | 2015-10-09 22:32:01 UTC |
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| Update date | 2017-01-19 02:36:33 UTC |
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| FoodComEx ID | PC000698 |
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| FoodDB Record | FDB022997 |
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| Chemical Information |
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| Name | alpha-Hydroxyhippuric acid |
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| Description | Alpha-Hydroxyhippuric acid (or Benzamidohydroxyacetic acid) is a carboxylic acid occasionally present in human biofluids. (PMID 10598689, 6511847, 4077949). It is used in the formulation of some herbicides and inks to enhance their action (Patents US 1996-657134, US 1975-627965) [HMDB] |
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| CAS Number | 16555-77-4 |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| (Benzoylamino)hydroxyacetic acid | hmdb | | 2-(Benzoylamino)-2-hydroxyacetate | Generator | | 2-(Benzoylamino)-2-hydroxyacetic acid | hmdb | | 2-Benzamidooxyacetate | Generator | | 2-Benzamidooxyacetic acid | ChEBI | | a-Hydroxybenzoylglycine | Generator | | a-Hydroxyhippuric acid | hmdb | | alpha-Hydroxybenzoylglycine | hmdb | | alpha-Hydroxyhippuric acid | hmdb | | Benzamidohydroxyacetic acid | hmdb | | α-hydroxybenzoylglycine | Generator |
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| Chemical Formula | C9H9NO4 |
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| IUPAC name | 2-hydroxy-2-(phenylformamido)acetic acid |
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| InChI Identifier | InChI=1S/C9H9NO4/c11-7(10-8(12)9(13)14)6-4-2-1-3-5-6/h1-5,8,12H,(H,10,11)(H,13,14) |
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| InChI Key | GCWCVCCEIQXUQU-UHFFFAOYSA-N |
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| Isomeric SMILES | OC(NC(=O)C1=CC=CC=C1)C(O)=O |
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| Average Molecular Weight | 195.1721 |
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| Monoisotopic Molecular Weight | 195.053157781 |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as hippuric acids. Hippuric acids are compounds containing hippuric acid, which consists of a of a benzoyl group linked to the N-terminal of a glycine. |
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| Kingdom | Organic compounds |
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| Super Class | Benzenoids |
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| Class | Benzene and substituted derivatives |
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| Sub Class | Benzoic acids and derivatives |
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| Direct Parent | Hippuric acids |
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| Alternative Parents | |
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| Substituents | - Hippuric acid
- N-acyl-alpha-amino acid
- N-acyl-alpha amino acid or derivatives
- Alpha-amino acid or derivatives
- Benzoyl
- Alpha-hydroxy acid
- Hydroxy acid
- Carboxamide group
- Secondary carboxylic acid amide
- Alkanolamine
- Carboxylic acid derivative
- Carboxylic acid
- Monocarboxylic acid or derivatives
- Organic oxygen compound
- Organic nitrogen compound
- Organic oxide
- Carbonyl group
- Organopnictogen compound
- Hydrocarbon derivative
- Organooxygen compound
- Organonitrogen compound
- Aromatic homomonocyclic compound
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| Molecular Framework | Aromatic homomonocyclic compounds |
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| External Descriptors | |
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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 200 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 | 8400AA |
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| MetaSci | HMDB0002404 |
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| Sigma-Aldrich | HMDB0002404 |
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