| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:55:54 UTC |
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| Update Date | 2025-03-21 18:04:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00052550 |
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| Frequency | 61.9 |
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| Structure | |
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| Chemical Formula | C7H12N2O4 |
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| Molecular Mass | 188.0797 |
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| SMILES | N=CNC(CCC(=O)O)CC(=O)O |
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| InChI Key | VHGGGRJBFMCCGP-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 | beta amino acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | amino fatty acidscarbonyl compoundscarboximidamidescarboxylic acidsdicarboxylic acids and derivativesformamidineshydrocarbon derivativesiminesmedium-chain fatty acidsorganic oxidesorganopnictogen compounds |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidiminefatty acidamidinecarboximidamideamino fatty acidbeta amino acid or derivativesformamidineorganic oxideorganic oxygen compoundorganonitrogen compounddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativemedium-chain fatty acidorganic nitrogen compoundorganooxygen compound |
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