| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:04 UTC |
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| Update Date | 2025-03-25 00:50:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02180976 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H17NO4S |
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| Molecular Mass | 259.0878 |
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| SMILES | O=C(O)CCC1SCC2NCC(CC(=O)O)C21 |
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| InChI Key | ZIRPYRWDHOBUOK-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lipids and lipid-like molecules |
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| Class | fatty acyls |
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| Subclass | fatty acids and conjugates |
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| Direct Parent | thia fatty acids |
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| Geometric Descriptor | aliphatic heteropolycyclic compounds |
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| Alternative Parents | amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylaminesdialkylthioethersdicarboxylic acids and derivativesfatty acylshydrocarbon derivativesorganic oxidesorganopnictogen compoundspyrrolidinesthiolanes |
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| Substituents | thiolanecarbonyl groupcarboxylic acidamino acid or derivativesamino acidcarboxylic acid derivativealiphatic heteropolycyclic compoundorganic oxideorganonitrogen compoundorganopnictogen compoundpyrrolidineorganoheterocyclic compoundsecondary aliphatic amineazacycledialkylthioethersecondary aminethia fatty acidorganic oxygen compoundthioetherdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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