| Record Information |
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| Version | 1.0 |
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| Creation date | 2015-10-09 22:30:45 UTC |
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| Update date | 2017-01-19 02:36:24 UTC |
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| FoodComEx ID | PC000445 |
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| FoodDB Record | FDB003281 |
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| Chemical Information |
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| Name | Isocitric acid |
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| Description | The citrate oxidation to isocitrate is catalyzed by the enzyme aconitase. Human prostatic secretion is remarkably rich in citric acid and low aconitase activity will therefore play a significant role in enabling accumulation of high citrate levels (PubMed ID 8115279) [HMDB]. Isocitric acid is found in many foods, some of which are wild carrot, redcurrant, carrot, and soursop. |
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| CAS Number | 320-77-4 |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| 1-Hydroxy-1,2,3-propanetricarboxylate | HMDB | | 1-Hydroxy-1,2,3-propanetricarboxylic acid | db_source | | 1-Hydroxypropane-1,2,3-tricarboxylate | Generator | | 1-Hydroxypropane-1,2,3-tricarboxylic acid | ChEBI | | 1-Hydroxytricarballylate | Generator | | 1-Hydroxytricarballylic acid | db_source | | 3-Carboxy-2,3-dideoxy-1-hydroxypropan-1,2,3-tricarboxylate | HMDB | | 3-Carboxy-2,3-dideoxy-1-hydroxypropan-1,2,3-tricarboxylic acid | HMDB | | 3-Carboxy-2,3-dideoxy-pentarate | HMDB | | 3-Carboxy-2,3-dideoxy-pentaric acid | HMDB | | 3-Carboxy-3,4-dideoxypentaric acid, 9CI | db_source | | D-Isocitrate | HMDB | | I-cit | HMDB | | Isocitrate | Generator | | threo-D(S)-Iso-citrate | HMDB | | threo-Ds-isocitrate | HMDB |
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| Chemical Formula | C6H8O7 |
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| IUPAC name | 1-hydroxypropane-1,2,3-tricarboxylic acid |
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| InChI Identifier | InChI=1S/C6H8O7/c7-3(8)1-2(5(10)11)4(9)6(12)13/h2,4,9H,1H2,(H,7,8)(H,10,11)(H,12,13) |
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| InChI Key | ODBLHEXUDAPZAU-UHFFFAOYSA-N |
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| Isomeric SMILES | OC(C(CC(O)=O)C(O)=O)C(O)=O |
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| Average Molecular Weight | 192.1235 |
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| Monoisotopic Molecular Weight | 192.02700261 |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as tricarboxylic acids and derivatives. These are carboxylic acids containing exactly three carboxyl groups. |
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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 | Tricarboxylic acids and derivatives |
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| Direct Parent | Tricarboxylic acids and derivatives |
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| Alternative Parents | |
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| Substituents | - Tricarboxylic acid or derivatives
- Beta-hydroxy acid
- Monosaccharide
- Hydroxy acid
- Alpha-hydroxy acid
- Secondary alcohol
- Carboxylic acid
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Carbonyl group
- Alcohol
- Aliphatic acyclic compound
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| Molecular Framework | Aliphatic acyclic 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 1 g |
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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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| Not Available |
