| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:28 UTC |
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| Update Date | 2025-03-25 00:53:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02200047 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H18N4O6S |
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| Molecular Mass | 358.0947 |
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| SMILES | N=C(NCCSCc1ccc(C(N)=O)o1)NC(CC(=O)O)C(=O)O |
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| InChI Key | HPKIIIDYHADZCI-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 | aspartic acid and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-heteroaryl carboxamidesalpha amino acidscarbonyl compoundscarboximidamidescarboxylic acidsdialkylthioethersdicarboxylic acids and derivativesfuroic acid and derivativesguanidinesheteroaromatic compoundshydrocarbon derivativesiminesorganic oxidesorganopnictogen compoundsoxacyclic compoundsprimary carboxylic acid amidessulfenyl compounds |
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| Substituents | primary carboxylic acid amidefurancarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundguanidineimineorganosulfur compound2-heteroaryl carboxamideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundfuroic acid or derivativessulfenyl compounddialkylthioetherheteroaromatic compoundcarboximidamidecarboxamide groupoxacycleorganic oxygen compoundthioetheraspartic acid or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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