| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:53 UTC |
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| Update Date | 2025-03-25 00:47:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02164444 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H21N3O8 |
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| Molecular Mass | 383.1329 |
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| SMILES | CC(N=C(O)C(N=CC=C1C=C(C(=O)O)NC(C(=O)O)C1)C(C)O)C(=O)O |
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| InChI Key | NBTTYZPABMFTOM-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 | alanine and derivatives |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | aldiminesalpha amino acidsamino acidsazacyclic compoundscarbonyl compoundscarboximidic acidscarboxylic acidsdialkylamineshydrocarbon derivativesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssecondary alcoholstetrahydropyridinestricarboxylic acids and derivatives |
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| Substituents | carboximidic acidcarbonyl groupcarboxylic acidamino acidiminetricarboxylic acid or derivativespropargyl-type 1,3-dipolar organic compoundaldimineorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundalcoholsecondary aliphatic amineazacycletetrahydropyridineorganic 1,3-dipolar compoundsecondary amineorganic oxygen compoundsecondary alcoholalanine or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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