| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:02:40 UTC |
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| Update Date | 2025-03-21 18:07:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00068551 |
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| Frequency | 44.2 |
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| Structure | |
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| Chemical Formula | C7H12N2O5 |
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| Molecular Mass | 204.0746 |
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| SMILES | N=CNC(CCC(O)C(=O)O)C(=O)O |
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| InChI Key | YDZDDPBOTARDAJ-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 derivativesamino fatty acidscarbonyl compoundscarboximidamidescarboxylic acidsdicarboxylic acids and derivativesformamidineshydrocarbon derivativeshydroxy fatty acidsiminesmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonosaccharidesorganic oxidesorganopnictogen compoundssecondary alcohols |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidiminealpha-hydroxy acidmonosaccharidefatty acidalpha-amino acid or derivativesamidinemedium-chain hydroxy acidsaccharideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compounddelta amino acid or derivativesmedium-chain fatty acidhydroxy fatty acidalcoholcarboximidamidehydroxy acidamino fatty acidformamidineorganic oxygen compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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