| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-09-30 23:10:35 UTC |
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| Update Date | 2020-04-22 15:14:08 UTC |
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| BMDB ID | BMDB0004812 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | 2,5-Furandicarboxylic acid |
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| Description | 2,5-Furandicarboxylic acid, also known as 2,5-dicarboxyfuran or dehydromucic acid, 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. 2,5-Furandicarboxylic acid exists in all living organisms, ranging from bacteria to humans. Based on a literature review a small amount of articles have been published on 2,5-Furandicarboxylic acid. |
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| Structure | |
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| Synonyms | | Value | Source |
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| 2,5-Dicarboxyfuran | ChEBI | | Dehydromucic acid | ChEBI | | Furane-alpha,alpha'-dicarboxylic acid | ChEBI | | Furan-2,5-dicarboxylate | Kegg | | Dehydromucate | Generator | | Furane-a,alpha'-dicarboxylate | Generator | | Furane-a,alpha'-dicarboxylic acid | Generator | | Furane-alpha,alpha'-dicarboxylate | Generator | | Furane-α,alpha'-dicarboxylate | Generator | | Furane-α,alpha'-dicarboxylic acid | Generator | | Furan-2,5-dicarboxylic acid | Generator | | 2,5-Furandicarboxylate | Generator | | (1,5-Dimethylhexyl)hydrazine | HMDB | | Dehydroschleimsaeure | HMDB | | Furan 2,5-dicarboxylate | HMDB | | Furan 2,5-dicarboxylic acid | HMDB | | Furan-2,5-dicarbonsaeure | HMDB | | Furane-a,a'-dicarboxylate | HMDB | | Furane-a,a'-dicarboxylic acid | HMDB | | FDCA CPD | MeSH, HMDB | | 2,5-Furandicarboxylic acid | ChEBI |
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| Chemical Formula | C6H4O5 |
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| Average Molecular Weight | 156.093 |
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| Monoisotopic Molecular Weight | 156.005873238 |
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| IUPAC Name | furan-2,5-dicarboxylic acid |
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| Traditional Name | 2,5-furandicarboxylic acid |
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| CAS Registry Number | 3238-40-2 |
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| SMILES | OC(=O)C1=CC=C(O1)C(O)=O |
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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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| 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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| Ontology |
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| Status | Expected but not Quantified |
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| Origin | |
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| Biofunction | Not Available |
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| Application | Not Available |
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| Cellular locations | Not Available |
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| Physical Properties |
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| State | Solid |
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| Experimental Properties | | Property | Value | Reference |
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| Melting Point | 342 °C | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | 1 mg/mL at 18 °C | Not Available | | LogP | Not Available | Not Available |
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| Predicted Properties | |
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| Spectra |
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| Spectra | |
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