| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:46 UTC |
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| Update Date | 2025-03-25 00:51:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02184755 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H16N4O7S |
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| Molecular Mass | 312.074 |
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| SMILES | N=C(NOCCC(N)C(=O)O)NC(CS(=O)O)C(=O)O |
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| InChI Key | CLUCOVYZNAXXJC-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 | alkanesulfinic acids and derivativescarbonyl compoundscarboximidamidescarboxylic acidsdicarboxylic acids and derivativesfatty acids and conjugatesguanidineshydrocarbon derivativesiminesmonoalkylaminesorganic oxidesorganopnictogen compoundsorganosulfur compoundsshort-chain hydroxy acids and derivativessulfinic acids |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidguanidineiminesulfinic acid derivativefatty acidorganosulfur compoundsulfinic acidalkanesulfinic acid or derivativesorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundcarboximidamideorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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