| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:25 UTC |
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| Update Date | 2025-03-25 00:57:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02223144 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H29N3O5S |
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| Molecular Mass | 387.1828 |
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| SMILES | NC(CCCCNC(=O)CCCCC1SCC2NC(C(=O)O)C21)C(=O)O |
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| InChI Key | PJGGMKHTEVZVKB-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | alpha amino acids |
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| Geometric Descriptor | aliphatic heteropolycyclic compounds |
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| Alternative Parents | amino acidsazacyclic compoundsazetidinecarboxylic acidsazetidinescarbonyl compoundscarboxylic acidsdialkylaminesdialkylthioethersdicarboxylic acids and derivativesheterocyclic fatty acidshydrocarbon derivativesmedium-chain fatty acidsmonoalkylaminesn-acyl aminesorganic oxidesorganopnictogen compoundssecondary carboxylic acid amidesthiolanes |
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| Substituents | thiolanefatty acylcarbonyl groupcarboxylic acidamino acidheterocyclic fatty acidfatty amidefatty acidazetidinecarboxylic acidaliphatic heteropolycyclic compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidorganoheterocyclic compoundsecondary aliphatic amineazacycledialkylthioethersecondary aminecarboxamide groupn-acyl-amineazetidinesecondary carboxylic acid amideorganic oxygen compoundthioetherdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundamine |
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