| 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 | PC000997 |
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| FoodDB Record | FDB022037 |
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| Chemical Information |
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| Name | 2-Hydroxydecanedioic acid |
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| Description | 2-Hydroxydecanedioic acid appears in the urine of children affected with peroxisomal disorders such as urines of children with neonatal adrenoleukodystrophy and Zellweger syndrome and is a useful marker for these diseases. (PMID 2943344) [HMDB] |
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| CAS Number | 103963-71-9 |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| 2-hydroxy-Decandioate | hmdb | | 2-hydroxy-Decandioic acid | hmdb | | 2-Hydroxydecanedioate | hmdb | | 2-Hydroxydecanedioic acid | hmdb | | 2-Hydroxysebacate | hmdb | | 2-Hydroxysebacic acid | hmdb | | a-Hydroxysebasate | hmdb | | a-Hydroxysebasic acid | hmdb | | alpha-Hydroxysebasate | hmdb | | alpha-Hydroxysebasic acid | hmdb |
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| Chemical Formula | C10H18O5 |
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| IUPAC name | 2-hydroxydecanedioic acid |
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| InChI Identifier | InChI=1S/C10H18O5/c11-8(10(14)15)6-4-2-1-3-5-7-9(12)13/h8,11H,1-7H2,(H,12,13)(H,14,15) |
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| InChI Key | LPIOYESQKJFWPQ-UHFFFAOYSA-N |
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| Isomeric SMILES | OC(CCCCCCCC(O)=O)C(O)=O |
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| Average Molecular Weight | 218.2469 |
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| Monoisotopic Molecular Weight | 218.115423686 |
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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
- Hydroxy fatty acid
- Alpha-hydroxy acid
- Dicarboxylic acid or derivatives
- Monosaccharide
- Fatty acid
- Fatty acyl
- Secondary alcohol
- Carboxylic acid
- Carboxylic acid derivative
- Alcohol
- Organic oxide
- Organic oxygen compound
- Organooxygen compound
- Hydrocarbon derivative
- Carbonyl group
- 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 10 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 | H939450 |
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