| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:55:46 UTC |
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| Update Date | 2025-03-25 00:52:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02191600 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H26N2O8S |
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| Molecular Mass | 382.141 |
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| SMILES | CC(=O)NC1C(O)C(O)C(CSCCC(N)C(=O)O)OC1C(O)CO |
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| InChI Key | BKADVPFXVOBPQN-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 heteromonocyclic compounds |
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| Alternative Parents | acetamidescarbonyl compoundscarboxylic acidsdialkyl ethersdialkylthioethersheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesprimary alcoholssecondary alcoholssecondary carboxylic acid amidesshort-chain hydroxy acids and derivativessulfenyl compoundsthia fatty acids |
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| Substituents | fatty acylcarbonyl groupethercarboxylic acidshort-chain hydroxy acidheterocyclic fatty acidmonosaccharidefatty acidorganosulfur compounddialkyl ethersaccharideorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidoxaneprimary alcoholorganoheterocyclic compoundacetamidealcoholsulfenyl compounddialkylthioethercarboxamide groupoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundthioethersecondary alcoholhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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