| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:49 UTC |
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| Update Date | 2025-03-25 00:46:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02153037 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H17N3O5 |
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| Molecular Mass | 283.1168 |
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| SMILES | NC(=O)c1cc(C(=O)O)cn1CCCCC(N)C(=O)O |
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| InChI Key | PZTFHHLUTTVITB-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 | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-heteroaryl carboxamidesamino fatty acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativesmedium-chain fatty acidsmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary carboxylic acid amidespyrrole carboxamidespyrrole carboxylic acidssubstituted pyrrolesvinylogous amides |
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| Substituents | primary carboxylic acid amidefatty acylcarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundpyrrole-3-carboxylic acid or derivativesheterocyclic fatty acidfatty acidsubstituted pyrrole2-heteroaryl carboxamideorganic oxidepyrrole-2-carboxylic acid or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidpyrrole-2-carboxamideorganoheterocyclic compoundvinylogous amideazacycleheteroaromatic compoundcarboxamide groupamino fatty acidorganic oxygen compoundpyrroledicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundpyrrole-3-carboxylic acidorganooxygen compound |
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