| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:57:51 UTC |
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| Update Date | 2025-03-25 00:52:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02196261 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C27H30N4O6 |
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| Molecular Mass | 506.2165 |
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| SMILES | CC1=C(CCC(=O)O)c2cc3[nH]c(cc4[nH]c(cc1n2)c(C)c4CC(N)C(=O)O)c(CCC(=O)O)c3C |
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| InChI Key | VJJLJRCFIPRBKD-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 heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolestricarboxylic acids and derivatives |
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| Substituents | carbonyl groupcarboxylic acidazacycleheteroaromatic compoundtricarboxylic acid or derivativesorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundpyrroleorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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