| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:45 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 | DMID02184739 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H17N3O5S |
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| Molecular Mass | 279.0889 |
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| SMILES | N=C(NCCCC(O)C(=O)O)SCC(N)C(=O)O |
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| InChI Key | SOEHKCWSWWUGRK-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 | delta amino acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acidsalpha hydroxy acids and derivativescarbonyl compoundscarboximidamidescarboxylic acidscysteine and derivativesdicarboxylic acids and derivativeshydrocarbon derivativeshydroxy fatty acidsiminesisothioureasmonoalkylaminesmonosaccharidesorganic oxidesorganopnictogen compoundssecondary alcoholsshort-chain hydroxy acids and derivativessulfenyl compounds |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidiminealpha-hydroxy acidmonosaccharidefatty acidalpha-amino acid or derivativesorganosulfur compoundsaccharideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compounddelta amino acid or derivativeshydroxy fatty acidisothioureaalcoholsulfenyl compoundcarboximidamidehydroxy acidorganic oxygen compoundcysteine or derivativessecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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