| Record Information |
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| Version | 1.0 |
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| Creation date | 2015-10-09 22:31:32 UTC |
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| Update date | 2017-01-19 02:36:30 UTC |
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| FoodComEx ID | PC000619 |
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| FoodDB Record | FDB022516 |
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| Chemical Information |
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| Name | Succinic acid semialdehyde |
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| Description | Succinic acid semialdehyde, also known as 3-formylpropionic acid or 4-oxobutanoate, belongs to the class of organic compounds known as straight chain fatty acids. These are fatty acids with a straight aliphatic chain. Succinic acid semialdehyde is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. Succinic acid semialdehyde is a potentially toxic compound. |
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| CAS Number | 692-29-5 |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| 2-formylpropionic acid ethyl ester | hmdb | | 3-Formylpropanoate | hmdb | | 3-Formylpropanoic acid | hmdb | | 3-Formylpropionate | Generator | | 3-Formylpropionic acid | ChEBI | | 4-Oxobutanoate | hmdb | | 4-Oxobutanoic acid | hmdb | | b-Formylpropionate | Generator | | b-Formylpropionic acid | Generator | | beta-Formylpropionate | hmdb | | beta-Formylpropionic acid | hmdb | | Butryaldehydate | hmdb | | Butryaldehydic acid | hmdb | | gamma-Oxybutyrate | hmdb | | gamma-Oxybutyric acid | hmdb | | Semialdehyde succinique | ChEBI | | Succinaldehydate | hmdb | | Succinaldehydic acid | ChEBI | | Succinate semialdehyde | hmdb | | Succinic acid semialdehyde | hmdb | | Succinic semialdehyde | hmdb | | β-formylpropionate | Generator | | β-formylpropionic acid | Generator |
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| Chemical Formula | C4H6O3 |
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| IUPAC name | 4-oxobutanoic acid |
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| InChI Identifier | InChI=1S/C4H6O3/c5-3-1-2-4(6)7/h3H,1-2H2,(H,6,7) |
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| InChI Key | UIUJIQZEACWQSV-UHFFFAOYSA-N |
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| Isomeric SMILES | OC(=O)CCC=O |
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| Average Molecular Weight | 102.0886 |
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| Monoisotopic Molecular Weight | 102.031694058 |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as straight chain fatty acids. These are fatty acids with a straight aliphatic chain. |
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| Kingdom | Organic compounds |
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| Super Class | Lipids and lipid-like molecules |
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| Class | Fatty Acyls |
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| Sub Class | Fatty acids and conjugates |
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| Direct Parent | Straight chain fatty acids |
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| Alternative Parents | |
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| Substituents | - Straight chain fatty acid
- Alpha-hydrogen aldehyde
- Monocarboxylic acid or derivatives
- Carboxylic acid
- Carboxylic acid derivative
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Carbonyl group
- Aldehyde
- 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 50 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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| AKSci | 9847AJ |
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| Toronto Research Chemicals | F700935 |
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