| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:37 UTC |
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| Update Date | 2025-03-25 00:47:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02161539 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H17N3O2 |
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| Molecular Mass | 211.1321 |
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| SMILES | NCCc1cc(CCCCC(=O)O)n[nH]1 |
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| InChI Key | VKWKRXYJCAFOEH-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 fatty acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrazoles |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundazacycleheterocyclic fatty acidheteroaromatic compoundcarboxylic acid derivativeamino fatty acidpyrazoleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativemedium-chain fatty acidprimary aliphatic amineorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compoundazole |
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