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Record Information |
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| Version |
1.0 |
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| Update Date |
1/22/2018 11:54:54 AM |
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Metabolite ID | PAMDB001732 |
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Identification |
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| Name: |
ferric 2,3-dihydroxybenzoylserine |
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| Description: | Ferric 2,3-dihydroxybenzoylserine belongs to the class of Hippuric Acid Derivatives. These are compounds containing an hippuric acid or a derivative, with a structure characterized the presence of a benzoyl group linked to the N-terminal of a glycine. (inferred from compound structure) |
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Structure |
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| Synonyms: | - Dihydroxybenzoylserine-iron
- Ferric 2,3-dihydroxybenzoylserine
- Ferric dihydroxybenzoylserine
- Hydrolyzed ferric enterobactin complex
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Chemical Formula: |
C10H11FeNO6 |
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| Average Molecular Weight: |
297.044 |
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| Monoisotopic Molecular
Weight: |
296.993573 |
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| InChI Key: |
CNGSOAGKXMNDIO-RGMNGODLSA-N |
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| InChI: | InChI=1S/C10H11NO6.Fe/c12-4-6(10(16)17)11-9(15)5-2-1-3-7(13)8(5)14;/h1-3,6,12-14H,4H2,(H,11,15)(H,16,17);/t6-;/m0./s1 |
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| CAS
number: |
Not Available |
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| IUPAC Name: | (2S)-2-{[(2,3-dihydroxyphenyl)(hydroxy)methylidene]amino}-3-hydroxypropanoic acid iron |
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Traditional IUPAC Name: |
(2S)-2-{[(2,3-dihydroxyphenyl)(hydroxy)methylidene]amino}-3-hydroxypropanoic acid iron |
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| SMILES: | [Fe].[H][C@@](CO)(N=C(O)C1=C(O)C(O)=CC=C1)C(O)=O |
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Chemical Taxonomy |
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Taxonomy Description | This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. |
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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 |
N-acyl-alpha amino acids |
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| Alternative Parents |
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| Substituents |
- N-acyl-alpha-amino acid
- Serine or derivatives
- Beta-hydroxy acid
- Phenol
- Monocyclic benzene moiety
- Hydroxy acid
- Benzenoid
- Carboximidic acid
- Carboximidic acid derivative
- Carboxylic acid
- Organic transition metal salt
- Monocarboxylic acid or derivatives
- Organic 1,3-dipolar compound
- Propargyl-type 1,3-dipolar organic compound
- Organic oxide
- Hydrocarbon derivative
- Carbonyl group
- Alcohol
- Organonitrogen compound
- Organooxygen compound
- Primary alcohol
- Aromatic homomonocyclic compound
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| Molecular Framework |
Aromatic homomonocyclic compounds |
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| External Descriptors |
Not Available |
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Physical Properties |
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| State: |
Not Available |
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| Charge: | 0 |
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Melting point: |
Not Available |
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| Experimental Properties: |
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| Predicted Properties |
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Biological Properties |
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| Cellular Locations: |
Cytoplasm |
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| Reactions: | |
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Pathways: |
Not Available |
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Spectra |
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| Spectra: |
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References |
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| References: |
Not Available |
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| Synthesis Reference: |
Not Available |
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| Material Safety Data Sheet (MSDS) |
Not Available |
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Links |
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| External Links: |
| Resource | Link |
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| CHEBI ID | Not Available | | HMDB ID | Not Available | | Pubchem Compound ID | 46926236 | | Kegg ID | Not Available | | ChemSpider ID | Not Available | | Wikipedia ID | Not Available | | BioCyc ID | CPD0-2482 | | EcoCyc ID | CPD0-2482 |
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