| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:47:24 UTC |
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| Update Date | 2025-03-25 00:49:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02172491 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H27N2O8P |
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| Molecular Mass | 442.1505 |
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| SMILES | CCC1=C(C)C(=O)NC1Cc1[nH]c(CCC(=O)OP(=O)(O)O)c(CCC(=O)O)c1C |
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| InChI Key | ALSBVHDZZHHERY-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 | organic phosphoric acids and derivatives |
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| Subclass | phosphate esters |
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| Direct Parent | acyl monophosphates |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeslactamsorganic oxidesorganic phosphoric acids and derivativesorganonitrogen compoundsorganopnictogen compoundspyrrolespyrrolinessecondary carboxylic acid amides |
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| Substituents | carbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundazacycleacyl monophosphateheteroaromatic compoundcarboxamide groupcarboxylic acid derivativesecondary carboxylic acid amideorganic oxideorganic oxygen compoundpyrrolinepyrroleorganonitrogen compounddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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