| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:19:45 UTC |
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| Update Date | 2025-03-21 18:36:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00109745 |
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| Frequency | 33.0 |
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| Structure | |
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| Chemical Formula | C12H20N4O4 |
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| Molecular Mass | 284.1485 |
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| SMILES | NC(CCCCNC(Cc1c[nH]cn1)C(=O)O)C(=O)O |
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| InChI Key | QJSGSNUBIDISLE-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 derivativesimidazolesmedium-chain fatty acidsmonoalkylaminesorganic oxidesorganopnictogen compounds |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acidheterocyclic fatty acidfatty acidorganic oxideimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidorganoheterocyclic compoundazolesecondary aliphatic amineazacycleheteroaromatic compoundsecondary amineamino fatty acidorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundamine |
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