| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:51 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 | DMID02164380 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H10N2O6 |
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| Molecular Mass | 254.0539 |
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| SMILES | CC(N=CC=C1C=C(C(=O)O)NC(=O)O1)C(=O)O |
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| InChI Key | WQZNBCLNYVTGSW-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 acidsazacyclic compoundscarbamate esterscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesenol estershydrocarbon derivativesorganic carbonic acids and derivativesorganic oxidesorganopnictogen compoundsoxacyclic compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | carbonyl groupcarboxylic acidiminepropargyl-type 1,3-dipolar organic compoundaldimineorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundenol esterorganoheterocyclic compoundcarbonic acid derivativeazacyclecarbamic acid esterorganic 1,3-dipolar compoundoxacycleorganic oxygen compounddicarboxylic acid or derivativesalanine or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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