| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:00 UTC |
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| Update Date | 2025-03-25 00:47:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02160197 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H13N3O5 |
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| Molecular Mass | 255.0855 |
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| SMILES | Nc1ccn(C(CCCC(=O)O)C(=O)O)c(=O)n1 |
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| InChI Key | CQWDDCHRXQGDCB-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 and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | amino acidsamino fatty acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativesimidolactamsmedium-chain fatty acidsorganic carbonic acids and derivativesorganic oxidesorganopnictogen compoundsprimary aminespyrimidones |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acidheterocyclic fatty acidfatty acidpyrimidonealpha-amino acid or derivativespyrimidineorganic oxideorganonitrogen compoundorganopnictogen compoundmedium-chain fatty acidimidolactamorganoheterocyclic compoundcarbonic acid derivativeazacycleheteroaromatic compoundamino fatty acidorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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