| Record Information |
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| Version | 1.0 |
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| Creation date | 2015-10-09 22:33:41 UTC |
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| Update date | 2017-01-19 02:36:44 UTC |
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| FoodComEx ID | PC000998 |
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| FoodDB Record | FDB022029 |
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| Chemical Information |
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| Name | 3-Hydroxydodecanedioic acid |
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| Description | 3-Hydroxydecanedioic acid appears in the urine of children affected with peroxisomal disorders. Peroxisomal biogenesis disorders (PBDs) are characterized by generalized peroxisomal dysfunction due to defective assembly of the organelle and include the Zellweger, neonatal adrenoleukodystrophy and infantile Refsum phenotypes (PMID 10896310) [HMDB] |
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| CAS Number | 34574-69-1 |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| 3-Hydroxydodecanedioate | hmdb | | 3-Hydroxydodecanedioic acid | hmdb |
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| Chemical Formula | C12H22O5 |
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| IUPAC name | 3-hydroxydodecanedioic acid |
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| InChI Identifier | InChI=1S/C12H22O5/c13-10(9-12(16)17)7-5-3-1-2-4-6-8-11(14)15/h10,13H,1-9H2,(H,14,15)(H,16,17) |
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| InChI Key | FYVQCLGZFXHEGL-UHFFFAOYSA-N |
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| Isomeric SMILES | OC(CCCCCCCCC(O)=O)CC(O)=O |
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| Average Molecular Weight | 246.3001 |
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| Monoisotopic Molecular Weight | 246.146723814 |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as medium-chain hydroxy acids and derivatives. These are hydroxy acids with a 6 to 12 carbon atoms long side chain. |
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| Kingdom | Organic compounds |
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| Super Class | Organic acids and derivatives |
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| Class | Hydroxy acids and derivatives |
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| Sub Class | Medium-chain hydroxy acids and derivatives |
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| Direct Parent | Medium-chain hydroxy acids and derivatives |
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| Alternative Parents | |
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| Substituents | - Medium-chain hydroxy acid
- Medium-chain fatty acid
- Beta-hydroxy acid
- Hydroxy fatty acid
- Dicarboxylic acid or derivatives
- Fatty acyl
- Fatty acid
- Secondary alcohol
- Carboxylic acid
- Carboxylic acid derivative
- Organooxygen compound
- Hydrocarbon derivative
- Organic oxide
- Alcohol
- Carbonyl group
- Organic oxygen compound
- 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 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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| Toronto Research Chemicals | H939615 |
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