| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:41:02 UTC |
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| Update Date | 2025-03-25 00:46:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02158077 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H15NO6S |
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| Molecular Mass | 265.062 |
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| SMILES | O=C(O)CN=C(O)CSCCC(O)CC(=O)O |
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| InChI Key | VDHUUULLCDHFHC-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 acyclic compounds |
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| Alternative Parents | beta hydroxy acids and derivativescarbonyl compoundscarboximidic acidscarboxylic acidsdialkylthioethersdicarboxylic acids and derivativeshydrocarbon derivativeshydroxy fatty acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssecondary alcoholsshort-chain hydroxy acids and derivativessulfenyl compounds |
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| Substituents | fatty acylaliphatic acyclic compoundcarboximidic acidcarbonyl groupcarboxylic acidshort-chain hydroxy acidfatty acidorganosulfur compoundpropargyl-type 1,3-dipolar organic compoundbeta-hydroxy acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidalcoholsulfenyl compounddialkylthioetherorganic 1,3-dipolar compoundhydroxy acidorganic oxygen compoundthioethersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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