| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:57:40 UTC |
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| Update Date | 2025-03-25 00:52:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02195857 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C25H42N2O4 |
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| Molecular Mass | 434.3145 |
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| SMILES | CC12CC(O)C3C(CCC4CC(NCCCCC(N)C(=O)O)CCC43C)C1CCC2=O |
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| InChI Key | HMKFIQNIJVYPQS-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 | androstane steroids |
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| Direct Parent | androstane steroids |
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| Geometric Descriptor | aliphatic homopolycyclic compounds |
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| Alternative Parents | 11-hydroxysteroids17-oxosteroidsalpha amino acidsamino acidsamino fatty acidscarbocyclic fatty acidscarboxylic acidscyclic alcohols and derivativesdialkylamineshydrocarbon derivativeshydroxy fatty acidsketonesmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundssecondary alcohols |
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| Substituents | fatty acylcarbocyclic fatty acidcarbonyl groupcarboxylic acidamino acid or derivativesamino acidfatty acidalpha-amino acid or derivativescarboxylic acid derivativemedium-chain hydroxy acidaliphatic homopolycyclic compoundketoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acidalcoholsecondary aliphatic amineoxosteroidhydroxysteroidcyclic alcoholsecondary amineamino fatty acidmonocarboxylic acid or derivativesorganic oxygen compoundandrostane-skeletonsecondary alcohol17-oxosteroidhydrocarbon derivative11-hydroxysteroidprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundamine |
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