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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 | PAMDB100014 |
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Identification |
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| Name: |
N,N,N-trimethylglycyl-CoA(3-) |
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| Description: | A triply charged acyl-CoA oxoanion arising from deprotonation of the phosphate and diphosphate OH groups of N,N,N-trimethylglycyl-CoA; major species at pH 7.3. |
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Structure |
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| Synonyms: | - glycinebetainyl-CoA(3−)
- glycylbetainyl-CoA(3−)
- N,N,N-trimethylglycyl-CoA
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Chemical Formula: |
C26H42N8O17P3S |
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| Average Molecular Weight: |
863.643 |
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| Monoisotopic Molecular
Weight: |
863.16 |
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| InChI Key: |
YKDFVXJTYIVYPM-ZMHDXICWSA-K |
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| InChI: | InChI=1S/C26H45N8O17P3S/c1-26(2,21(38)24(39)29-7-6-16(35)28-8-9-55-17(36)10-34(3,4)5)12-48-54(45,46)51-53(43,44)47-11-15-20(50-52(40,41)42)19(37)25(49-15)33-14-32-18-22(27)30-13-31-23(18)33/h13-15,19-21,25,37-38H,6-12H2,1-5H3,(H7-,27,28,29,30,31,35,39,40,41,42,43,44,45,46)/p-3/t15-,19-,20-,21+,25-/m1/s1 |
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| CAS
number: |
Not Available |
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| IUPAC Name: | [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[[[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-[2-[2-(trimethylazaniumyl)acetyl]sulfanylethylamino]propyl]amino]butoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl] phosphate |
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Traditional IUPAC Name: |
Not Available |
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| SMILES: | CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)([O-])[O-])[C@H](C(=O)NCCC(=O)NCCSC(=O)C[N+](C)(C)C)O |
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Chemical Taxonomy |
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Taxonomy Description | Not Available |
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Kingdom |
Not Available |
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| Super Class | Not Available |
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Class |
Not Available |
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| Sub Class | Not Available |
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Direct Parent |
Not Available |
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| Alternative Parents |
Not Available |
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| Substituents |
Not Available |
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| Molecular Framework |
Not Available |
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| External Descriptors |
Not Available |
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Physical Properties |
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| State: |
Not Available |
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| Charge: | -3 |
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Melting point: |
Not Available |
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| Experimental Properties: |
Not Available |
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| Predicted Properties |
Not Available |
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Biological Properties |
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| Cellular Locations: |
Not Available |
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| Reactions: | |
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Pathways: |
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Spectra |
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| Spectra: |
Not Available |
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References |
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| References: |
- Wargo MJ, Hogan DA. Identification of genes required for Pseudomonas
aeruginosa carnitine catabolism. Microbiology. 2009 Jul;155(Pt 7):2411-9. Pubmed: 19406895
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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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