| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:29:37 UTC |
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| Update Date | 2025-03-21 18:41:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00133233 |
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| Frequency | 18.9 |
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| Structure | |
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| Chemical Formula | C11H19NO8S |
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| Molecular Mass | 325.0831 |
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| SMILES | NC(CCSCC1OC(O)(C(=O)O)CC(O)C1O)C(=O)O |
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| InChI Key | AVNVELXPSXOPBR-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 | 1,2-diolsalpha hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdialkylthioethersdicarboxylic acids and derivativeshemiacetalsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmonoalkylaminesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespyran carboxylic acidssecondary alcoholsshort-chain hydroxy acids and derivativessulfenyl compoundsthia fatty acids |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidshort-chain hydroxy acidheterocyclic fatty acidalpha-hydroxy acidmonosaccharidefatty acidorganosulfur compoundpyran carboxylic acidsaccharideorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhemiacetalhydroxy fatty acidoxaneorganoheterocyclic compound1,2-diolalcoholpyran carboxylic acid or derivativessulfenyl compounddialkylthioetherhydroxy acidoxacyclethia fatty acidorganic oxygen compoundthioetherpyransecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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