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Record Information |
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| Version |
1.0 |
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| Update Date |
1/22/2018 12:54:54 PM |
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Metabolite ID | PAMDB110156 |
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Identification |
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| Name: |
(R)-4'-phosphopantothenate |
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| Description: | An organophosphate oxoanion that is the trianion of (R)-5-phosphopantothenic acid arising from deprotonation of the carboxy and phosphate OH groups; major species at pH 7.3 |
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Structure |
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| Synonyms: | -
4'-phosphopantothenate
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4'-P-Pantothenate
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D-4'-phosphopantothenate
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Chemical Formula: |
C9H15NO8P
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| Average Molecular Weight: |
296.19 |
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| Monoisotopic Molecular
Weight: |
299.0770030698 |
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| InChI Key: |
XHFVGHPGDLDEQO-ZETCQYMHSA-K |
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| InChI: |
InChI=1S/C9H18NO8P/c1-9(2,5-18-19(15,16)17)7(13)8(14)10-4-3-6(11)12/h7,13H,3-5H2,1-2H3,(H,10,14)(H,11,12)(H2,15,16,17)/p-3/t7-/m0/s1 |
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| CAS
number: |
Not Available |
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| IUPAC Name: | 3-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonatooxy)butanamido]propanoate |
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Traditional IUPAC Name: |
3-{2-hydroxy-3-methyl-3-[(phosphonooxy)methyl]butanamido}propanoic acid |
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| SMILES: | CC(C(C(=O)NCCC(=O)[O-])O)(COP([O-])([O-])=O)C |
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Chemical Taxonomy |
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Taxonomy Description | This compound belongs to the class of chemical entities 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 |
Chemical entities |
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| Super Class | Organic compounds |
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Class |
Organic acids and derivatives |
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| Sub Class | Carboxylic acids and derivatives |
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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
- Monoalkyl phosphate
- Fatty amide
- Monosaccharide
- N-acyl-amine
- Organic phosphoric acid derivative
- Phosphoric acid ester
- Alkyl phosphate
- Fatty acyl
- Secondary alcohol
- Carboxamide group
- Secondary carboxylic acid amide
- Monocarboxylic acid or derivatives
- Carboxylic acid
- Organooxygen compound
- Organonitrogen compound
- Carbonyl group
- Organic nitrogen compound
- Organic oxygen compound
- Alcohol
- Hydrocarbon derivative
- Organic oxide
- Organopnictogen compound
- Aliphatic acyclic compound
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| Molecular Framework |
Aliphatic acyclic compounds |
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| External Descriptors |
Not Available |
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Physical Properties |
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| State: |
Solid |
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| Charge: | -3 |
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Melting point: |
Not Available |
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| Experimental Properties: |
| Property | Value | Reference |
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| Melting Point | Not Available | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | Not Available | Not Available | | LogP | Not Available | Not Available |
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| Predicted Properties |
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Biological Properties |
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| Cellular Locations: |
Not Available |
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| Reactions: | |
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Pathways: |
- Pantothenate and CoA Biosynthesis pae00770
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Spectra |
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| Spectra: |
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References |
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| References: |
Not Available |
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| Synthesis Reference: |
Not Available |
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| Material Safety Data Sheet (MSDS) |
Not Available |
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Links |
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| External Links: |
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