| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:43 UTC |
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| Update Date | 2025-03-25 00:46:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02152790 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H16N4O5 |
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| Molecular Mass | 308.1121 |
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| SMILES | N=C(Nc1ccc(C(N)=O)cc1)NC(CCC(=O)O)C(=O)O |
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| InChI Key | KRMJKCRVROFHAM-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 | glutamic acid and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsbenzamidesbenzoyl derivativescarbonyl compoundscarboximidamidescarboxylic acidsdicarboxylic acids and derivativesguanidinesguanidinobenzoic acids and derivativeshydrocarbon derivativesiminesorganic oxidesorganopnictogen compoundsprimary carboxylic acid amides |
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| Substituents | primary carboxylic acid amidemonocyclic benzene moietycarbonyl groupcarboxylic acidguanidineiminebenzoylbenzamideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundbenzoic acid or derivativesglutamic acid or derivativescarboximidamidecarboxamide grouparomatic homomonocyclic compoundorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativebenzenoidguanidinobenzoic acid or derivativesorganic nitrogen compoundorganooxygen compound |
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