| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:45:32 UTC |
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| Update Date | 2025-03-25 00:48:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02168249 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C26H45NO6 |
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| Molecular Mass | 467.3247 |
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| SMILES | CC(CCC(O)NCC(=O)O)C1CCC2C3CC(O)C4CC(O)CCC4(C)C3CC(O)C12C |
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| InChI Key | NMQWTNSCNADRJS-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 | hydroxysteroids |
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| Direct Parent | 3-hydroxysteroids |
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| Geometric Descriptor | aliphatic homopolycyclic compounds |
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| Alternative Parents | 12-hydroxysteroids25-azasteroids and derivatives6-hydroxysteroidsalpha amino acidsamino acidsbile acids, alcohols and derivativescarbonyl compoundscarboxylic acidscyclic alcohols and derivativesdialkylamineshemiaminalshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundssecondary alcohols |
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| Substituents | carbonyl group12-hydroxysteroidcarboxylic acidamino acid or derivativesamino acid25-azasteroidalpha-amino acid or derivativescarboxylic acid derivativebile acid, alcohol, or derivativeshemiaminalaliphatic homopolycyclic compoundorganic oxideazasteroidorganonitrogen compoundalpha-amino acidorganopnictogen compoundalkanolaminealcoholsecondary aliphatic amine3-hydroxysteroidcyclic alcoholsecondary aminemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivative6-hydroxysteroidorganic nitrogen compoundorganooxygen compoundamine |
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