| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:50 UTC |
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| Update Date | 2025-03-25 00:46:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02153102 |
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| Frequency | 0.5 |
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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 | NC(=O)CC=CC(O)C(N)C(=O)O |
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| InChI Key | QBGCUGTZYYBLCQ-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 | amino fatty acidsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsfatty acylshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary carboxylic acid amidessecondary alcohols |
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| Substituents | primary carboxylic acid amidefatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidmedium-chain hydroxy acidbeta-hydroxy acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acidalcoholhydroxy acidcarboxamide groupamino fatty acidmonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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