| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:59 UTC |
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| Update Date | 2025-03-25 00:56:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02219805 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H29N2O6+ |
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| Molecular Mass | 381.202 |
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| SMILES | C[N+](C)(C)CC(CCCCC(N)C(=O)O)OC(=O)c1ccccc1C(=O)O |
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| InChI Key | DHSJSXWOWOBXPZ-UHFFFAOYSA-O |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | benzoic acids and derivatives |
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| Direct Parent | benzoic acid esters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsalpha amino acidsaminesbenzoic acidsbenzoyl derivativescarbonyl compoundscarboxylic acid estershydrocarbon derivativesmonoalkylaminesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundstetraalkylammonium saltstricarboxylic acids and derivatives |
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| Substituents | carbonyl groupcarboxylic acidbenzoyltricarboxylic acid or derivativesbenzoate esteralpha-amino acid or derivativescarboxylic acid derivativeorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compound1-carboxy-2-haloaromatic compoundorganic cationbenzoic acidorganic salttetraalkylammonium saltquaternary ammonium saltaromatic homomonocyclic compoundorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundamineorganooxygen compound |
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