| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:14 UTC |
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| Update Date | 2025-03-25 00:50:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02181362 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H17N3O6 |
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| Molecular Mass | 299.1117 |
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| SMILES | O=C(O)CNC(CCCCn1ccc(=O)[nH]c1=O)C(=O)O |
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| InChI Key | XTWNSVJOCAAWIM-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 | amino acidsamino fatty acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylaminesdicarboxylic acids and derivativesheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativeslactamsmedium-chain fatty acidsorganic carbonic acids and derivativesorganic oxidesorganopnictogen compoundspyrimidonesvinylogous amides |
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| Substituents | fatty acylcarbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundamino acidheterocyclic fatty acidfatty acidpyrimidonepyrimidineorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidorganoheterocyclic compoundvinylogous amidesecondary aliphatic aminecarbonic acid derivativeazacycleheteroaromatic compoundsecondary amineamino fatty acidorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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