| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:47:24 UTC |
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| Update Date | 2025-03-25 00:49:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02172487 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C26H37N3O7S |
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| Molecular Mass | 535.2352 |
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| SMILES | CCC1=C(C)C(=O)NC1Cc1[nH]c(CC2NS(=O)(=O)C(CCCCC(=O)O)=C2C)c(CCC(=O)O)c1C |
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| InChI Key | QDYDSWWEPZZZOR-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 | fatty acyls |
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| Subclass | fatty acids and conjugates |
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| Direct Parent | medium-chain fatty acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesfatty acylsheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativeslactamsorganic oxidesorganic sulfonamidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonamidespyrrolespyrrolinessecondary carboxylic acid amidesthiazolines |
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| Substituents | organosulfonic acid or derivativescarbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundheterocyclic fatty acidcarboxylic acid derivativeorganosulfonic acid amideorganic oxideorganonitrogen compoundorganopnictogen compoundmedium-chain fatty acidorganoheterocyclic compoundazacycleheteroaromatic compoundcarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundpyrrolineorganic sulfonic acid or derivativespyrroleortho-thiazolinedicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganic sulfonic acid amideorganooxygen compound |
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