| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 10:38:36 UTC |
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| Update Date | 2025-03-24 20:50:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01583131 |
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| Frequency | 0.8 |
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| Structure | |
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| Chemical Formula | C55H94N4O18S |
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| Molecular Mass | 1130.6284 |
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| SMILES | CCCCCC=CCC=CC=CC=CC(SCC(NC(=O)CCC(N)C(=O)O)C(=O)NCC(=O)O)C(COC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O)NC(=O)CCCCCCCCCCCCCCC |
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| InChI Key | ABMMCELNYANIFL-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 | oligopeptides |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | acetalsacyl glycinesalkyl glycosidesalpha amino acid amidesalpha amino acidscarbonyl compoundscarboxylic acidscysteine and derivativesdialkylthioethersdicarboxylic acids and derivativesfatty acyl glycosides of mono- and disaccharidesglutamine and derivativesheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmonoalkylaminesmonosaccharidesn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesprimary alcoholssecondary alcoholssecondary carboxylic acid amidesshort-chain hydroxy acids and derivativessulfenyl compoundsthia fatty acids |
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| Substituents | fatty acyl glycoside of mono- or disaccharidecarboxylic acidshort-chain hydroxy acidglutamine or derivativesmonosaccharidealpha-amino acid or derivativessaccharideacetalorganonitrogen compoundalpha-amino acidhydroxy fatty acidoxaneorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesalcoholfatty acyl glycosidesulfenyl compoundalpha-amino acid amiden-acyl-alpha-amino aciddialkylthioethern-acylglycinen-substituted-alpha-amino acidsecondary carboxylic acid amidethioethercysteine or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic aminefatty acylcarbonyl groupheterocyclic fatty acidfatty amideorganosulfur compoundorganic oxidealiphatic heteromonocyclic compoundorganopnictogen compoundprimary alcoholcarboxamide groupn-acyl-amineoxacyclethia fatty acidorganic oxygen compoundsecondary alcoholalpha-oligopeptideorganic nitrogen compoundorganooxygen compoundalkyl glycoside |
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