| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:57:12 UTC |
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| Update Date | 2025-03-21 18:05:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00055522 |
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| Frequency | 57.7 |
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| Structure | |
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| Chemical Formula | C7H9NO4 |
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| Molecular Mass | 171.0532 |
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| SMILES | NC(CC1C=CC(=O)O1)C(=O)O |
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| InChI Key | MBJKYVHRPYJISF-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 heteromonocyclic compounds |
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| Alternative Parents | butenolidescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesdihydrofuransenoate estershydrocarbon derivativeslactonesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compounds |
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| Substituents | enoate estercarbonyl groupcarboxylic acidlactoneoxacyclealpha,beta-unsaturated carboxylic ester2-furanoneorganic oxideorganic oxygen compoundcarboxylic acid esteraliphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino aciddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compounddihydrofuran |
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