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 20:27:42 UTC |
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Update Date | 2022-09-22 18:34:48 UTC |
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HMDB ID | HMDB0341330 |
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Secondary Accession Numbers | None |
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Metabolite Identification |
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Common Name | Hymeglusin |
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Description | Hymeglusin, also known as antibiotic 1233A, 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. Based on a literature review a significant number of articles have been published on Hymeglusin. |
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Structure | [H]\C(C(O)=O)=C(\C)/C(/[H])=C(\C)C[C@]([H])(C)CCCC[C@@]1([H])OC(=O)[C@]1([H])CO InChI=1S/C18H28O5/c1-12(8-13(2)9-14(3)10-17(20)21)6-4-5-7-16-15(11-19)18(22)23-16/h9-10,12,15-16,19H,4-8,11H2,1-3H3,(H,20,21)/b13-9+,14-10+/t12-,15-,16-/m1/s1 |
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Synonyms | Value | Source |
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Antibiotic 1233a sodium | MeSH | 11-(3-(Hydroxymethyl)-4-oxo-2-oxytanyl)-3,5,7-trimethyl-2,4-undecadienenoic acid | MeSH | 3,5,7-Trimethyl-12-hydroxy-13-hydroxymethyl-2,4-tetradecadiendioic acid 12,14-lactone | MeSH | Antibiotic 1233a | MeSH | Antibiotic 1233a calcium | MeSH | 11-(3'-(Hydroxymethyl)-4'-oxo-2'-oxetanyl)-3,5,7-trimethyl-2,4-undecadienoic acid | MeSH | Antibiotic 1233a potassium | MeSH |
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Chemical Formula | C18H28O5 |
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Average Molecular Weight | 324.417 |
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Monoisotopic Molecular Weight | 324.193674002 |
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IUPAC Name | (2E,4E,7R)-11-[(2R,3R)-3-(hydroxymethyl)-4-oxooxetan-2-yl]-3,5,7-trimethylundeca-2,4-dienoic acid |
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Traditional Name | (2E,4E,7R)-11-[(2R,3R)-3-(hydroxymethyl)-4-oxooxetan-2-yl]-3,5,7-trimethylundeca-2,4-dienoic acid |
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CAS Registry Number | Not Available |
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SMILES | [H]\C(C(O)=O)=C(\C)/C(/[H])=C(\C)C[C@]([H])(C)CCCC[C@@]1([H])OC(=O)[C@]1([H])CO |
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InChI Identifier | InChI=1S/C18H28O5/c1-12(8-13(2)9-14(3)10-17(20)21)6-4-5-7-16-15(11-19)18(22)23-16/h9-10,12,15-16,19H,4-8,11H2,1-3H3,(H,20,21)/b13-9+,14-10+/t12-,15-,16-/m1/s1 |
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InChI Key | ODCZJZWSXPVLAW-KXCGKLMDSA-N |
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Chemical Taxonomy |
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Description | 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
- Branched fatty acid
- Heterocyclic fatty acid
- Hydroxy fatty acid
- Methyl-branched fatty acid
- Dicarboxylic acid or derivatives
- Unsaturated fatty acid
- Beta_propiolactone
- Carboxylic acid ester
- Lactone
- Oxetane
- Organoheterocyclic compound
- Oxacycle
- Carboxylic acid
- Carboxylic acid derivative
- Hydrocarbon derivative
- Alcohol
- Carbonyl group
- Organic oxide
- Primary alcohol
- Organooxygen compound
- Organic oxygen compound
- Aliphatic heteromonocyclic compound
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Molecular Framework | Aliphatic heteromonocyclic 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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