| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:24 UTC |
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| Update Date | 2025-03-25 00:57:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02223092 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H13N3O4 |
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| Molecular Mass | 227.0906 |
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| SMILES | NC(CCC(C(=O)O)n1ccnc1)C(=O)O |
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| InChI Key | MWVGCKSSWVMGJD-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 | delta amino acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsamino fatty acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativesimidazolesmedium-chain fatty acidsmonoalkylaminesn-substituted imidazolesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundheterocyclic fatty acidfatty acidalpha-amino acid or derivativesorganic oxideimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compounddelta amino acid or derivativesmedium-chain fatty acidorganoheterocyclic compoundazolen-substituted imidazoleazacycleheteroaromatic compoundamino fatty acidorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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