| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:06 UTC |
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| Update Date | 2025-03-25 00:58:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02233488 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H13N3O2 |
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| Molecular Mass | 195.1008 |
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| SMILES | Nc1cc(CCCCC(=O)O)ncn1 |
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| InChI Key | QOFHCMWUMWAFLK-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lipids and lipid-like molecules |
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| Class | fatty acyls |
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| Subclass | fatty acids and conjugates |
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| Direct Parent | medium-chain fatty acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | amino acidsamino fatty acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativesimidolactamsmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsprimary aminespyrimidines and pyrimidine derivatives |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidheterocyclic fatty acidcarboxylic acid derivativepyrimidineorganic oxideorganonitrogen compoundorganopnictogen compoundmedium-chain fatty acidimidolactamorganoheterocyclic compoundazacycleheteroaromatic compoundamino fatty acidmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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