Record Information |
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Version | 5.0 |
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Status | Detected but not Quantified |
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Creation Date | 2022-09-09 20:47:12 UTC |
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Update Date | 2022-09-22 18:34:52 UTC |
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HMDB ID | HMDB0341377 |
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Secondary Accession Numbers | None |
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Metabolite Identification |
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Common Name | Pseudoerythromycin A enol ether |
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Description | Pseudoerythromycin A enol ether belongs to the class of organic compounds known as aminoglycosides. These are molecules or a portion of a molecule composed of amino-modified sugars. Based on a literature review a small amount of articles have been published on Pseudoerythromycin A enol ether. |
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Structure | [H][C@@](O)(CC)[C@@](C)(O)[C@]1([H])OC(=O)[C@]([H])(C)[C@@]([H])(O[C@@]2([H])C[C@@](C)(OC)[C@@]([H])(O)[C@]([H])(C)O2)[C@]([H])(C)[C@@]([H])(O[C@]2([H])O[C@]([H])(C)C[C@]([H])(N(C)C)[C@@]2([H])O)[C@@]2(C)CC(C)=C(O2)[C@]1([H])C InChI=1S/C37H65NO12/c1-14-25(39)37(10,43)32-20(4)28-18(2)16-36(9,50-28)31(49-34-27(40)24(38(11)12)15-19(3)45-34)21(5)29(22(6)33(42)48-32)47-26-17-35(8,44-13)30(41)23(7)46-26/h19-27,29-32,34,39-41,43H,14-17H2,1-13H3/t19-,20+,21+,22-,23+,24+,25-,26+,27-,29+,30+,31-,32-,34+,35-,36-,37-/m1/s1 |
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Synonyms | Not Available |
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Chemical Formula | C37H65NO12 |
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Average Molecular Weight | 715.922 |
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Monoisotopic Molecular Weight | 715.450676537 |
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IUPAC Name | (2R,3R,6R,7S,8S,9R,10R)-3-[(2R,3R)-2,3-dihydroxypentan-2-yl]-9-{[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-7-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy}-2,6,8,10,12-pentamethyl-4,13-dioxabicyclo[8.2.1]tridec-1(12)-en-5-one |
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Traditional Name | (2R,3R,6R,7S,8S,9R,10R)-3-[(2R,3R)-2,3-dihydroxypentan-2-yl]-9-{[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-7-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy}-2,6,8,10,12-pentamethyl-4,13-dioxabicyclo[8.2.1]tridec-1(12)-en-5-one |
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CAS Registry Number | Not Available |
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SMILES | [H][C@@](O)(CC)[C@@](C)(O)[C@]1([H])OC(=O)[C@]([H])(C)[C@@]([H])(O[C@@]2([H])C[C@@](C)(OC)[C@@]([H])(O)[C@]([H])(C)O2)[C@]([H])(C)[C@@]([H])(O[C@]2([H])O[C@]([H])(C)C[C@]([H])(N(C)C)[C@@]2([H])O)[C@@]2(C)CC(C)=C(O2)[C@]1([H])C |
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InChI Identifier | InChI=1S/C37H65NO12/c1-14-25(39)37(10,43)32-20(4)28-18(2)16-36(9,50-28)31(49-34-27(40)24(38(11)12)15-19(3)45-34)21(5)29(22(6)33(42)48-32)47-26-17-35(8,44-13)30(41)23(7)46-26/h19-27,29-32,34,39-41,43H,14-17H2,1-13H3/t19-,20+,21+,22-,23+,24+,25-,26+,27-,29+,30+,31-,32-,34+,35-,36-,37-/m1/s1 |
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InChI Key | NMIWBQUQCOMGHJ-FYFYGOHNSA-N |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as aminoglycosides. These are molecules or a portion of a molecule composed of amino-modified sugars. |
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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 | Aminoglycosides |
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Alternative Parents | |
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Substituents | - Aminoglycoside core
- Glycosyl compound
- O-glycosyl compound
- Oxane
- Monosaccharide
- Dihydrofuran
- Tertiary alcohol
- 1,2-aminoalcohol
- Amino acid or derivatives
- Carboxylic acid ester
- Tertiary aliphatic amine
- Tertiary amine
- Secondary alcohol
- Lactone
- Acetal
- Carboxylic acid derivative
- Dialkyl ether
- Oxacycle
- Ether
- Organoheterocyclic compound
- Monocarboxylic acid or derivatives
- Organic nitrogen compound
- Carbonyl group
- Hydrocarbon derivative
- Alcohol
- Amine
- Organopnictogen compound
- Organonitrogen compound
- Organic oxide
- Aliphatic heteropolycyclic compound
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Molecular Framework | Aliphatic heteropolycyclic compounds |
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External Descriptors | Not Available |
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Ontology |
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Not Available | 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 | |
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Predicted Chromatographic Properties | Predicted Kovats Retention IndicesNot Available |
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