| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:54:49 UTC |
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| Update Date | 2025-03-25 00:51:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02189530 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C29H47NO4 |
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| Molecular Mass | 473.3505 |
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| SMILES | CC(CCC(=O)NCCC(=O)O)C1CCC2C3=C(CCC21C)C1(C)CCC(O)C(C)(C)C1CC3 |
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| InChI Key | TWXYGJRXVXSDON-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 | steroids and steroid derivatives |
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| Subclass | bile acids, alcohols and derivatives |
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| Direct Parent | bile acids, alcohols and derivatives |
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| Geometric Descriptor | aliphatic homopolycyclic compounds |
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| Alternative Parents | 3-hydroxysteroidsbeta amino acids and derivativescarbonyl compoundscarboxylic acidscyclic alcohols and derivativesditerpenoidshydrocarbon derivativesmonocarboxylic acids and derivativesn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholssecondary carboxylic acid amides |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidabietane diterpenoidfatty amidecarboxylic acid derivativebile acid, alcohol, or derivativesaliphatic homopolycyclic compoundorganic oxideorganonitrogen compoundorganopnictogen compoundalcohol3-hydroxysteroidhydroxysteroidcyclic alcoholcarboxamide groupn-acyl-aminebeta amino acid or derivativessecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundditerpenoidorganooxygen compound |
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