| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:03:36 UTC |
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| Update Date | 2025-03-25 00:54:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02209562 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C21H23N3O6S |
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| Molecular Mass | 445.1308 |
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| SMILES | CC1=C(CCC(=O)O)C(=Cc2[nH]c(C=C3NC(=O)CS3)c(CCC(=O)O)c2C)NC1=O |
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| InChI Key | HAVWEVSEAAEUKU-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 | dicarboxylic acids and derivatives |
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| Direct Parent | dicarboxylic acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeslactamsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolespyrrolinessecondary carboxylic acid amidesthiazolidines |
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| Substituents | carbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundazacycleheteroaromatic compoundcarboxamide groupsecondary carboxylic acid amideorganic oxideorganic oxygen compoundpyrrolinepyrroleorganonitrogen compounddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compoundthiazolidine |
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