| Record Information |
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| Version | 1.0 |
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| Creation date | 2015-10-09 22:28:59 UTC |
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| Update date | 2017-01-19 02:36:15 UTC |
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| FoodComEx ID | PC000165 |
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| FoodDB Record | FDB008322 |
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| Chemical Information |
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| Name | Pantothenic acid |
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| Description | Pantothenic acid is a water-soluble vitamin. For many animals, pantothenic acid is an essential nutrient. Only the dextrorotatory (D) isomer of pantothenic acid possesses biologic activity. The levorotatory (L) form may antagonize the effects of the dextrorotatory isomer. Pantothenic acid is found in many foods, some of which are cream substitute, yellow bell pepper, corn, and atlantic mackerel. |
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| CAS Number | 79-83-4 |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| N-(2,4-Dihydroxy-3,3-dimethyl-1-oxobutyl)-b-alanine, 9CI | db_source | | N-(2,4-Dihydroxy-3,3-dimethylbutyryl)-beta-alanine | biospider | | Pantothenate | biospider | | Pantothenoic acid | biospider |
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| Chemical Formula | C9H17NO5 |
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| IUPAC name | 3-(2,4-dihydroxy-3,3-dimethylbutanamido)propanoic acid |
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| InChI Identifier | InChI=1S/C9H17NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13) |
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| InChI Key | GHOKWGTUZJEAQD-UHFFFAOYSA-N |
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| Isomeric SMILES | CC(C)(CO)C(O)C(=O)NCCC(O)=O |
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| Average Molecular Weight | 219.235 |
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| Monoisotopic Molecular Weight | 219.110672659 |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom. |
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| Kingdom | Organic compounds |
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| Super Class | Organic acids and derivatives |
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| Class | Carboxylic acids and derivatives |
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| Sub Class | Amino acids, peptides, and analogues |
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| Direct Parent | Beta amino acids and derivatives |
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| Alternative Parents | |
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| Substituents | - Beta amino acid or derivatives
- Fatty amide
- Monosaccharide
- N-acyl-amine
- Fatty acyl
- Carboxamide group
- Secondary carboxylic acid amide
- Secondary alcohol
- Carboxylic acid
- Monocarboxylic acid or derivatives
- Organonitrogen compound
- Hydrocarbon derivative
- Organic oxide
- Organopnictogen compound
- Alcohol
- Organic oxygen compound
- Carbonyl group
- Organic nitrogen compound
- Organooxygen compound
- Primary alcohol
- 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 | 1000 mg/mL | MERCK INDEX (1996) |
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| Melting Point | < 25 oC | |
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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 |
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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 | 2466AC |
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| Toronto Research Chemicals | P190305 |
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