| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:53:17 UTC |
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| Update Date | 2025-03-21 18:03:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00046433 |
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| Frequency | 72.2 |
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| Structure | |
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| Chemical Formula | C25H37N3O6S |
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| Molecular Mass | 507.2403 |
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| SMILES | CC(C)CN(CC(O)C(Cc1ccccc1)NC(=O)OC1CCOC1)[SH](=O)(O)c1ccc(N)cc1 |
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| InChI Key | IZXZEMLSSCSNJU-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | phenylbutylamines |
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| Direct Parent | phenylbutylamines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | amphetamines and derivativescarbamate esterscarbonyl compoundsdialkyl ethershydrocarbon derivativesorganic carbonic acids and derivativesorganic oxidesorganopnictogen compoundsorganosulfur compoundsoxacyclic compoundsprimary aminessecondary alcoholstetrahydrofurans |
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| Substituents | carbonyl groupetheraromatic heteromonocyclic compoundorganosulfur compounddialkyl etherorganic oxidephenylbutylamineorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundamphetamine or derivativesalcoholcarbonic acid derivativetetrahydrofurancarbamic acid esteroxacycleorganic oxygen compoundsecondary alcoholhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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