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Record Information |
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| Version |
1.0 |
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| Update Date |
1/22/2018 11:54:54 AM |
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Metabolite ID | PAMDB120092 |
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Identification |
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| Name: |
cis-vaccenate |
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| Description: | A vaccenate(1−) that is the conjugate base of cis-vaccenic acid, arising from deprotonation of the carboxylic acid group. |
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Structure |
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| Synonyms: | - (11Z)-octadecenoate
- cis-vaccenate
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Chemical Formula: |
C18H33O2 |
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| Average Molecular Weight: |
281.457 |
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| Monoisotopic Molecular
Weight: |
282.2559 |
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| InChI Key: |
UWHZIFQPPBDJPM-FPLPWBNLSA-M |
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| InChI: | InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-8H,2-6,9-17H2,1H3,(H,19,20)/p-1/b8-7- |
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| CAS
number: |
Not Available |
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| IUPAC Name: | (11Z)-octadec-11-enoate |
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Traditional IUPAC Name: |
Not Available |
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| SMILES: | CCCCCCC=CCCCCCCCCCC(=O)[O-] |
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Chemical Taxonomy |
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Taxonomy Description | This compound belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms. |
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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 |
Long-chain fatty acids |
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| Alternative Parents |
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| Substituents |
- Long-chain fatty acid
- Unsaturated fatty acid
- Straight chain fatty acid
- Monocarboxylic acid or derivatives
- Carboxylic acid
- Carboxylic acid derivative
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Carbonyl group
- Organic anion
- Aliphatic acyclic compound
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| Molecular Framework |
Aliphatic acyclic compounds |
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| External Descriptors |
- straight-chain fatty acid anion, long-chain fatty acid anion, unsaturated fatty acid anion (CHEBI:50498)
- a small molecule (CPD-9247)
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Physical Properties |
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| State: |
Not Available |
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| Charge: | -1 |
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Melting point: |
Not Available |
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| Experimental Properties: |
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: |
- superpathway of unsaturated fatty acids biosynthesis (E. coli)PWY-6284
- cis-vaccenate biosynthesisPWY-5973
- superpathway of fatty acids biosynthesis (E. coli)PWY-6285
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Spectra |
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| Spectra: |
Not Available |
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References |
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| References: |
- Pugh EL, Sauer F, Waite M, Toomey RE, Wakil SJ (1966)Studies on the mechanism of fatty acid synthesis. 13. The role of beta-hydroxy acids in the synthesis of palmitate and cis vaccenate by the Escherichia coli enzyme system. The Journal of biological chemistry 241, Pubmed: 4380382
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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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