Record Information |
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Version | 5.0 |
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Status | Expected but not Quantified |
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Creation Date | 2013-06-15 18:19:33 UTC |
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Update Date | 2021-09-14 14:58:56 UTC |
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HMDB ID | HMDB0060634 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | Mycophenolic acid glucuronide |
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Description | Mycophenolic acid glucuronide belongs to the class of organic compounds known as phenolic glycosides. These are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose. Mycophenolic acid glucuronide is an extremely weak basic (essentially neutral) compound (based on its pKa). Within humans, mycophenolic acid glucuronide participates in a number of enzymatic reactions. In particular, mycophenolic acid glucuronide and uridine 5'-diphosphate can be biosynthesized from mycophenolic acid and uridine diphosphate glucuronic acid through its interaction with the enzymes UDP-glucuronosyltransferase 1-8 and UDP-glucuronosyltransferase 1-9. In addition, mycophenolic acid glucuronide and uridine 5'-diphosphate can be biosynthesized from mycophenolic acid and uridine diphosphate glucuronic acid; which is mediated by the enzymes UDP-glucuronosyltransferase 1-7 and UDP-glucuronosyltransferase 1-9. In humans, mycophenolic acid glucuronide is involved in mycophenolic acid metabolism pathway. Mycophenolic acid glucuronide is a metabolite of mycophenolate mofetil. Mycophenolate mofetil (MMF) (brand names CellCept, Myfortic) is an immunosuppressant and prodrug of mycophenolic acid, used extensively in transplant medicine. MMF is a less toxic alternative to azathioprine. It is a reversible inhibitor of inosine monophosphate dehydrogenase (IMPDH) in purine biosynthesis which is necessary for the growth of T cells and B cells. Other cells are able to recover purines via a separate, scavenger, pathway and are, thus, able to escape the effect. |
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Structure | COC1=C(C)C2=C(C(=O)OC2)C(OC2OC(C(O)C(O)C2O)C(O)=O)=C1C\C=C(\C)CCC(O)=O InChI=1S/C23H28O12/c1-9(5-7-13(24)25)4-6-11-18(32-3)10(2)12-8-33-22(31)14(12)19(11)34-23-17(28)15(26)16(27)20(35-23)21(29)30/h4,15-17,20,23,26-28H,5-8H2,1-3H3,(H,24,25)(H,29,30)/b9-4- |
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Synonyms | Value | Source |
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Mycophenolate glucuronide | Generator | MPAG CPD | MeSH | Mycophenolic acid 7-O-glucuronide | MeSH |
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Chemical Formula | C23H28O12 |
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Average Molecular Weight | 496.4612 |
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Monoisotopic Molecular Weight | 496.15807636 |
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IUPAC Name | 6-({5-[(2Z)-5-carboxy-3-methylpent-2-en-1-yl]-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-4-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid |
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Traditional Name | 6-({5-[(2Z)-5-carboxy-3-methylpent-2-en-1-yl]-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-4-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid |
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CAS Registry Number | Not Available |
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SMILES | COC1=C(C)C2=C(C(=O)OC2)C(OC2OC(C(O)C(O)C2O)C(O)=O)=C1C\C=C(\C)CCC(O)=O |
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InChI Identifier | InChI=1S/C23H28O12/c1-9(5-7-13(24)25)4-6-11-18(32-3)10(2)12-8-33-22(31)14(12)19(11)34-23-17(28)15(26)16(27)20(35-23)21(29)30/h4,15-17,20,23,26-28H,5-8H2,1-3H3,(H,24,25)(H,29,30)/b9-4- |
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InChI Key | BYFGTSAYQQIUCN-WTKPLQERSA-N |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as phenolic glycosides. These are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose. |
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Kingdom | Organic compounds |
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Super Class | Organic oxygen compounds |
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Class | Organooxygen compounds |
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Sub Class | Carbohydrates and carbohydrate conjugates |
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Direct Parent | Phenolic glycosides |
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Alternative Parents | |
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Substituents | - Phenolic glycoside
- 1-o-glucuronide
- O-glucuronide
- Glucuronic acid or derivatives
- Hexose monosaccharide
- O-glycosyl compound
- Isobenzofuranone
- Phthalide
- Isocoumaran
- Tricarboxylic acid or derivatives
- Anisole
- Beta-hydroxy acid
- Alkyl aryl ether
- Pyran
- Benzenoid
- Oxane
- Monosaccharide
- Hydroxy acid
- Carboxylic acid ester
- Secondary alcohol
- Lactone
- Acetal
- Ether
- Carboxylic acid
- Oxacycle
- Carboxylic acid derivative
- Organoheterocyclic compound
- Polyol
- Alcohol
- Carbonyl group
- Organic oxide
- Hydrocarbon derivative
- Aromatic heteropolycyclic compound
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Molecular Framework | Aromatic heteropolycyclic compounds |
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External Descriptors | Not Available |
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Ontology |
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Physiological effect | Not Available |
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Disposition | |
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Process | |
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Role | Not Available |
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Physical Properties |
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State | Not Available |
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Experimental Molecular 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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Experimental Chromatographic Properties | Not Available |
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Predicted Molecular Properties | | Show more...
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Predicted Chromatographic Properties | Predicted Collision Cross SectionsPredicted Kovats Retention IndicesUnderivatizedDerivatizedDerivative Name / Structure | SMILES | Kovats RI Value | Column Type | Reference |
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Mycophenolic acid glucuronide,1TMS,isomer #1 | COC1=C(C)C2=C(C(=O)OC2)C(OC2OC(C(=O)O)C(O[Si](C)(C)C)C(O)C2O)=C1C/C=C(/C)CCC(=O)O | 3851.3 | Semi standard non polar | 33892256 | Mycophenolic acid glucuronide,1TMS,isomer #2 | COC1=C(C)C2=C(C(=O)OC2)C(OC2OC(C(=O)O)C(O)C(O[Si](C)(C)C)C2O)=C1C/C=C(/C)CCC(=O)O | 3855.2 | Semi standard non polar | 33892256 | Mycophenolic acid glucuronide,1TMS,isomer #3 | COC1=C(C)C2=C(C(=O)OC2)C(OC2OC(C(=O)O)C(O)C(O)C2O[Si](C)(C)C)=C1C/C=C(/C)CCC(=O)O | 3861.5 | Semi standard non polar | 33892256 | Mycophenolic acid glucuronide,1TMS,isomer #4 | COC1=C(C)C2=C(C(=O)OC2)C(OC2OC(C(=O)O[Si](C)(C)C)C(O)C(O)C2O)=C1C/C=C(/C)CCC(=O)O | 3833.7 | Semi standard non polar | 33892256 | Mycophenolic acid glucuronide,1TMS,isomer #5 | COC1=C(C)C2=C(C(=O)OC2)C(OC2OC(C(=O)O)C(O)C(O)C2O)=C1C/C=C(/C)CCC(=O)O[Si](C)(C)C | 3843.6 | Semi standard non polar | 33892256 | Mycophenolic acid glucuronide,2TMS,isomer #1 | COC1=C(C)C2=C(C(=O)OC2)C(OC2OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)=C1C/C=C(/C)CCC(=O)O | 3789.4 | Semi standard non polar | 33892256 | Mycophenolic acid glucuronide,2TMS,isomer #10 | COC1=C(C)C2=C(C(=O)OC2)C(OC2OC(C(=O)O[Si](C)(C)C)C(O)C(O)C2O)=C1C/C=C(/C)CCC(=O)O[Si](C)(C)C | 3749.7 | Semi standard non polar | 33892256 | Mycophenolic acid glucuronide,2TMS,isomer #2 | COC1=C(C)C2=C(C(=O)OC2)C(OC2OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=C1C/C=C(/C)CCC(=O)O | 3821.0 | Semi standard non polar | 33892256 | Mycophenolic acid glucuronide,2TMS,isomer #3 | COC1=C(C)C2=C(C(=O)OC2)C(OC2OC(C(=O)O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=C1C/C=C(/C)CCC(=O)O | 3817.8 | Semi standard non polar | 33892256 | Mycophenolic acid glucuronide,2TMS,isomer #4 | COC1=C(C)C2=C(C(=O)OC2)C(OC2OC(C(=O)O)C(O[Si](C)(C)C)C(O)C2O)=C1C/C=C(/C)CCC(=O)O[Si](C)(C)C | 3773.2 | Semi standard non polar | 33892256 | Mycophenolic acid glucuronide,2TMS,isomer #5 | COC1=C(C)C2=C(C(=O)OC2)C(OC2OC(C(=O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)=C1C/C=C(/C)CCC(=O)O | 3773.5 | Semi standard non polar | 33892256 | Mycophenolic acid glucuronide,2TMS,isomer #6 | COC1=C(C)C2=C(C(=O)OC2)C(OC2OC(C(=O)O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C1C/C=C(/C)CCC(=O)O | 3830.3 | Semi standard non polar | 33892256 | Mycophenolic acid glucuronide,2TMS,isomer #7 | COC1=C(C)C2=C(C(=O)OC2)C(OC2OC(C(=O)O)C(O)C(O[Si](C)(C)C)C2O)=C1C/C=C(/C)CCC(=O)O[Si](C)(C)C | 3789.5 | Semi standard non polar | 33892256 | Mycophenolic acid glucuronide,2TMS,isomer #8 | COC1=C(C)C2=C(C(=O)OC2)C(OC2OC(C(=O)O[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)=C1C/C=C(/C)CCC(=O)O | 3792.0 | Semi standard non polar | 33892256 | Mycophenolic acid glucuronide,2TMS,isomer #9 | COC1=C(C)C2=C(C(=O)OC2)C(OC2OC(C(=O)O)C(O)C(O)C2O[Si](C)(C)C)=C1C/C=C(/C)CCC(=O)O[Si](C)(C)C | 3781.3 | Semi standard non polar | 33892256 | Mycophenolic acid glucuronide,3TMS,isomer #1 | COC1=C(C)C2=C(C(=O)OC2)C(OC2OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=C1C/C=C(/C)CCC(=O)O | 3757.6 | Semi standard non polar | 33892256 | Mycophenolic acid glucuronide,3TMS,isomer #10 | COC1=C(C)C2=C(C(=O)OC2)C(OC2OC(C(=O)O[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)=C1C/C=C(/C)CCC(=O)O[Si](C)(C)C | 3715.1 | Semi standard non polar | 33892256 | Mycophenolic acid glucuronide,3TMS,isomer #2 | COC1=C(C)C2=C(C(=O)OC2)C(OC2OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=C1C/C=C(/C)CCC(=O)O | 3784.3 | Semi standard non polar | 33892256 | Mycophenolic acid glucuronide,3TMS,isomer #3 | COC1=C(C)C2=C(C(=O)OC2)C(OC2OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)=C1C/C=C(/C)CCC(=O)O[Si](C)(C)C | 3710.6 | Semi standard non polar | 33892256 | Mycophenolic acid glucuronide,3TMS,isomer #4 | COC1=C(C)C2=C(C(=O)OC2)C(OC2OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C1C/C=C(/C)CCC(=O)O | 3815.7 | Semi standard non polar | 33892256 | Mycophenolic acid glucuronide,3TMS,isomer #5 | COC1=C(C)C2=C(C(=O)OC2)C(OC2OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=C1C/C=C(/C)CCC(=O)O[Si](C)(C)C | 3743.3 | Semi standard non polar | 33892256 | Mycophenolic acid glucuronide,3TMS,isomer #6 | COC1=C(C)C2=C(C(=O)OC2)C(OC2OC(C(=O)O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=C1C/C=C(/C)CCC(=O)O[Si](C)(C)C | 3743.4 | Semi standard non polar | 33892256 | Mycophenolic acid glucuronide,3TMS,isomer #7 | COC1=C(C)C2=C(C(=O)OC2)C(OC2OC(C(=O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C1C/C=C(/C)CCC(=O)O | 3770.4 | Semi standard non polar | 33892256 | Mycophenolic acid glucuronide,3TMS,isomer #8 | COC1=C(C)C2=C(C(=O)OC2)C(OC2OC(C(=O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)=C1C/C=C(/C)CCC(=O)O[Si](C)(C)C | 3710.4 | Semi standard non polar | 33892256 | Mycophenolic acid glucuronide,3TMS,isomer #9 | COC1=C(C)C2=C(C(=O)OC2)C(OC2OC(C(=O)O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C1C/C=C(/C)CCC(=O)O[Si](C)(C)C | 3748.2 | Semi standard non polar | 33892256 | Mycophenolic acid glucuronide,4TMS,isomer #1 | COC1=C(C)C2=C(C(=O)OC2)C(OC2OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C1C/C=C(/C)CCC(=O)O | 3771.9 | Semi standard non polar | 33892256 | Mycophenolic acid glucuronide,4TMS,isomer #2 | COC1=C(C)C2=C(C(=O)OC2)C(OC2OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=C1C/C=C(/C)CCC(=O)O[Si](C)(C)C | 3700.0 | Semi standard non polar | 33892256 | Mycophenolic acid glucuronide,4TMS,isomer #3 | COC1=C(C)C2=C(C(=O)OC2)C(OC2OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=C1C/C=C(/C)CCC(=O)O[Si](C)(C)C | 3719.8 | Semi standard non polar | 33892256 | Mycophenolic acid glucuronide,4TMS,isomer #4 | COC1=C(C)C2=C(C(=O)OC2)C(OC2OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C1C/C=C(/C)CCC(=O)O[Si](C)(C)C | 3723.3 | Semi standard non polar | 33892256 | Mycophenolic acid glucuronide,4TMS,isomer #5 | COC1=C(C)C2=C(C(=O)OC2)C(OC2OC(C(=O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C1C/C=C(/C)CCC(=O)O[Si](C)(C)C | 3699.0 | Semi standard non polar | 33892256 | Mycophenolic acid glucuronide,5TMS,isomer #1 | COC1=C(C)C2=C(C(=O)OC2)C(OC2OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C1C/C=C(/C)CCC(=O)O[Si](C)(C)C | 3714.6 | Semi standard non polar | 33892256 | Mycophenolic acid glucuronide,1TBDMS,isomer #1 | COC1=C(C)C2=C(C(=O)OC2)C(OC2OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=C1C/C=C(/C)CCC(=O)O | 4073.2 | Semi standard non polar | 33892256 | Mycophenolic acid glucuronide,1TBDMS,isomer #2 | COC1=C(C)C2=C(C(=O)OC2)C(OC2OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=C1C/C=C(/C)CCC(=O)O | 4084.9 | Semi standard non polar | 33892256 | Mycophenolic acid glucuronide,1TBDMS,isomer #3 | COC1=C(C)C2=C(C(=O)OC2)C(OC2OC(C(=O)O)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=C1C/C=C(/C)CCC(=O)O | 4086.0 | Semi standard non polar | 33892256 | Mycophenolic acid glucuronide,1TBDMS,isomer #4 | COC1=C(C)C2=C(C(=O)OC2)C(OC2OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)=C1C/C=C(/C)CCC(=O)O | 4057.6 | Semi standard non polar | 33892256 | Mycophenolic acid glucuronide,1TBDMS,isomer #5 | COC1=C(C)C2=C(C(=O)OC2)C(OC2OC(C(=O)O)C(O)C(O)C2O)=C1C/C=C(/C)CCC(=O)O[Si](C)(C)C(C)(C)C | 4082.2 | Semi standard non polar | 33892256 | Mycophenolic acid glucuronide,2TBDMS,isomer #1 | COC1=C(C)C2=C(C(=O)OC2)C(OC2OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=C1C/C=C(/C)CCC(=O)O | 4217.5 | Semi standard non polar | 33892256 | Mycophenolic acid glucuronide,2TBDMS,isomer #10 | COC1=C(C)C2=C(C(=O)OC2)C(OC2OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)=C1C/C=C(/C)CCC(=O)O[Si](C)(C)C(C)(C)C | 4193.8 | Semi standard non polar | 33892256 | Mycophenolic acid glucuronide,2TBDMS,isomer #2 | COC1=C(C)C2=C(C(=O)OC2)C(OC2OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)=C1C/C=C(/C)CCC(=O)O | 4245.0 | Semi standard non polar | 33892256 | Mycophenolic acid glucuronide,2TBDMS,isomer #3 | COC1=C(C)C2=C(C(=O)OC2)C(OC2OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)=C1C/C=C(/C)CCC(=O)O | 4234.9 | Semi standard non polar | 33892256 | Mycophenolic acid glucuronide,2TBDMS,isomer #4 | COC1=C(C)C2=C(C(=O)OC2)C(OC2OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=C1C/C=C(/C)CCC(=O)O[Si](C)(C)C(C)(C)C | 4217.0 | Semi standard non polar | 33892256 | Mycophenolic acid glucuronide,2TBDMS,isomer #5 | COC1=C(C)C2=C(C(=O)OC2)C(OC2OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=C1C/C=C(/C)CCC(=O)O | 4211.0 | Semi standard non polar | 33892256 | Mycophenolic acid glucuronide,2TBDMS,isomer #6 | COC1=C(C)C2=C(C(=O)OC2)C(OC2OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)=C1C/C=C(/C)CCC(=O)O | 4245.2 | Semi standard non polar | 33892256 | Mycophenolic acid glucuronide,2TBDMS,isomer #7 | COC1=C(C)C2=C(C(=O)OC2)C(OC2OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=C1C/C=C(/C)CCC(=O)O[Si](C)(C)C(C)(C)C | 4240.1 | Semi standard non polar | 33892256 | Mycophenolic acid glucuronide,2TBDMS,isomer #8 | COC1=C(C)C2=C(C(=O)OC2)C(OC2OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=C1C/C=C(/C)CCC(=O)O | 4216.7 | Semi standard non polar | 33892256 | Mycophenolic acid glucuronide,2TBDMS,isomer #9 | COC1=C(C)C2=C(C(=O)OC2)C(OC2OC(C(=O)O)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=C1C/C=C(/C)CCC(=O)O[Si](C)(C)C(C)(C)C | 4218.0 | Semi standard non polar | 33892256 | Mycophenolic acid glucuronide,3TBDMS,isomer #1 | COC1=C(C)C2=C(C(=O)OC2)C(OC2OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)=C1C/C=C(/C)CCC(=O)O | 4380.2 | Semi standard non polar | 33892256 | Mycophenolic acid glucuronide,3TBDMS,isomer #10 | COC1=C(C)C2=C(C(=O)OC2)C(OC2OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=C1C/C=C(/C)CCC(=O)O[Si](C)(C)C(C)(C)C | 4333.7 | Semi standard non polar | 33892256 | Mycophenolic acid glucuronide,3TBDMS,isomer #2 | COC1=C(C)C2=C(C(=O)OC2)C(OC2OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)=C1C/C=C(/C)CCC(=O)O | 4390.9 | Semi standard non polar | 33892256 | Mycophenolic acid glucuronide,3TBDMS,isomer #3 | COC1=C(C)C2=C(C(=O)OC2)C(OC2OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=C1C/C=C(/C)CCC(=O)O[Si](C)(C)C(C)(C)C | 4338.2 | Semi standard non polar | 33892256 | Mycophenolic acid glucuronide,3TBDMS,isomer #4 | COC1=C(C)C2=C(C(=O)OC2)C(OC2OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)=C1C/C=C(/C)CCC(=O)O | 4403.6 | Semi standard non polar | 33892256 | Mycophenolic acid glucuronide,3TBDMS,isomer #5 | COC1=C(C)C2=C(C(=O)OC2)C(OC2OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)=C1C/C=C(/C)CCC(=O)O[Si](C)(C)C(C)(C)C | 4375.1 | Semi standard non polar | 33892256 | Mycophenolic acid glucuronide,3TBDMS,isomer #6 | COC1=C(C)C2=C(C(=O)OC2)C(OC2OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)=C1C/C=C(/C)CCC(=O)O[Si](C)(C)C(C)(C)C | 4365.0 | Semi standard non polar | 33892256 | Mycophenolic acid glucuronide,3TBDMS,isomer #7 | COC1=C(C)C2=C(C(=O)OC2)C(OC2OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)=C1C/C=C(/C)CCC(=O)O | 4379.0 | Semi standard non polar | 33892256 | Mycophenolic acid glucuronide,3TBDMS,isomer #8 | COC1=C(C)C2=C(C(=O)OC2)C(OC2OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=C1C/C=C(/C)CCC(=O)O[Si](C)(C)C(C)(C)C | 4357.3 | Semi standard non polar | 33892256 | Mycophenolic acid glucuronide,3TBDMS,isomer #9 | COC1=C(C)C2=C(C(=O)OC2)C(OC2OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)=C1C/C=C(/C)CCC(=O)O[Si](C)(C)C(C)(C)C | 4370.8 | Semi standard non polar | 33892256 |
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