| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:46 UTC |
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| Update Date | 2025-03-25 00:49:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02178001 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H18N2O4S |
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| Molecular Mass | 286.0987 |
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| SMILES | Cc1ncc(CSCCNCC(=O)O)c(CO)c1O |
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| InChI Key | VXPOMTFQNVYWKZ-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 | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesamino acidsaromatic alcoholsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylaminesdialkylthioethersheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspolyhalopyridinessulfenyl compounds |
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| Substituents | aromatic alcoholcarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acidpolyhalopyridineorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compound2-halopyridineorganoheterocyclic compoundalcoholsecondary aliphatic aminesulfenyl compoundazacycledialkylthioetherheteroaromatic compoundhydroxypyridinesecondary aminemonocarboxylic acid or derivativespyridineorganic oxygen compoundthioetherhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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