| Record Information |
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| Version | 1.0 |
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| Creation date | 2015-10-09 22:33:06 UTC |
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| Update date | 2017-01-19 02:36:39 UTC |
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| FoodComEx ID | PC000854 |
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| FoodDB Record | FDB023423 |
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| Chemical Information |
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| Name | 2,5-Furandicarboxylic acid |
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| Description | 2,5-Furandicarboxylic acid is a normal urinary metabolite in humans. (PMIDs 14708889, 8087979, 2338430, 3711221)
Dietary studies show that the furan derivatives or their precursors are of exogenous origin. They are originated from furan derivatives found in food prepared by strong heating. This may explain the absence of 2,5-furandicarboxylic acid in urine of breastfed children, and the absence of these acids in the urine of rat, pig, cow, ox, rabbit, and monkey. (PMID 4630229) [HMDB] |
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| CAS Number | 3238-40-2 |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| (1,5-dimethylhexyl)Hydrazine | hmdb | | 2,5-Dicarboxyfuran | ChEBI | | 2,5-furandicarboxylate | hmdb | | Dehydromucate | hmdb | | Dehydromucic acid | hmdb | | Dehydroschleimsaeure | hmdb | | Furan 2,5-dicarboxylate | hmdb | | Furan 2,5-dicarboxylic acid | hmdb | | Furan-2,5-dicarbonsaeure | hmdb | | furan-2,5-dicarboxylate | hmdb | | furan-2,5-dicarboxylic acid | hmdb | | Furane-a,a'-dicarboxylate | hmdb | | Furane-a,a'-dicarboxylic acid | hmdb | | Furane-a,alpha'-dicarboxylate | Generator | | Furane-a,alpha'-dicarboxylic acid | Generator | | Furane-alpha,alpha'-dicarboxylate | Generator | | Furane-alpha,alpha'-dicarboxylic acid | ChEBI | | Furane-α,alpha'-dicarboxylate | Generator | | Furane-α,alpha'-dicarboxylic acid | Generator |
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| Chemical Formula | C6H4O5 |
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| IUPAC name | furan-2,5-dicarboxylic acid |
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| InChI Identifier | InChI=1S/C6H4O5/c7-5(8)3-1-2-4(11-3)6(9)10/h1-2H,(H,7,8)(H,9,10) |
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| InChI Key | CHTHALBTIRVDBM-UHFFFAOYSA-N |
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| Isomeric SMILES | OC(=O)C1=CC=C(O1)C(O)=O |
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| Average Molecular Weight | 156.093 |
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| Monoisotopic Molecular Weight | 156.005873238 |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as furoic acids. These are organic compounds containing a furoic acid moiety, with a structure characterized by a furan ring bearing a carboxylic acid group at the C2 or C3 carbon atom. |
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| Kingdom | Organic compounds |
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| Super Class | Organoheterocyclic compounds |
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| Class | Furans |
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| Sub Class | Furoic acid and derivatives |
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| Direct Parent | Furoic acids |
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| Alternative Parents | |
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| Substituents | - Furoic acid
- Dicarboxylic acid or derivatives
- Heteroaromatic compound
- Oxacycle
- Carboxylic acid
- Carboxylic acid derivative
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Aromatic heteromonocyclic compound
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| Molecular Framework | Aromatic heteromonocyclic 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 2 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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| AKSci | V1447 |
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| MetaSci | HMDB0004812 |
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| Sigma-Aldrich | HMDB0004812 |
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| Toronto Research Chemicals | F863750 |
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