| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:46:58 UTC |
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| Update Date | 2025-03-25 00:49:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02171522 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C20H28N4O3S |
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| Molecular Mass | 404.1882 |
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| SMILES | CN(C)Cc1ccc(CSCCNC(=O)CCNC(=O)c2ccc(N)cc2)o1 |
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| InChI Key | LELWSFXOGZIGOI-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 | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | beta amino acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | aralkylaminesbenzamidesbenzoyl derivativescarbonyl compoundscarboxylic acids and derivativesdialkylthioethersfuransheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganopnictogen compoundsoxacyclic compoundsprimary aminessecondary carboxylic acid amidessulfenyl compoundstrialkylamines |
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| Substituents | furanmonocyclic benzene moietycarbonyl grouparomatic heteromonocyclic compoundbenzoylorganosulfur compoundaralkylaminebenzamideorganic oxideorganonitrogen compoundorganopnictogen compoundtertiary amineorganoheterocyclic compoundsulfenyl compounddialkylthioetherheteroaromatic compoundtertiary aliphatic aminebenzoic acid or derivativescarboxamide groupbeta amino acid or derivativesoxacyclesecondary carboxylic acid amideorganic oxygen compoundthioetherhydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundamineorganooxygen compound |
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