| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 10:01:15 UTC |
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| Update Date | 2025-03-24 20:34:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01492449 |
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| Frequency | 0.9 |
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| Structure | |
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| Chemical Formula | C44H81N4O17PS2 |
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| Molecular Mass | 1032.4776 |
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| SMILES | CCCCCCCCCCCC(O)CC(=O)NC1C(OP(=O)(O)O)OC(CSSCC(NC(=O)CCC(N)C(=O)O)C(=O)NCC(=O)O)C(O)C1OC(=O)CC(O)CCCCCCCCCCC |
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| InChI Key | QDQGVPHSYAIWHV-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 | acyl glycinesalpha amino acid amidesalpha amino acidsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidscysteine and derivativesdialkyldisulfidesfatty acid estersglutamine and derivativeshydrocarbon derivativesmonoalkyl phosphatesmonoalkylaminesmonosaccharidesn-acyl aminesn-acyl-alpha-hexosaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanessecondary alcoholssecondary carboxylic acid amidessulfenyl compoundstricarboxylic acids and derivatives |
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| Substituents | carboxylic acidglutamine or derivativesmonosaccharidealpha-amino acid or derivativesbeta-hydroxy acidsaccharideorganonitrogen compoundalpha-amino acidoxaneorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesalcoholsulfenyl compoundalpha-amino acid amiden-acyl-alpha-amino acidn-acylglycinen-substituted-alpha-amino acidsecondary carboxylic acid amidefatty acid estermonoalkyl phosphateorganic disulfidecysteine or derivativescarboxylic acid esterhydrocarbon derivativeprimary aliphatic aminefatty acylcarbonyl groupfatty amidetricarboxylic acid or derivativesorganosulfur compoundn-acyl-alpha-hexosamineorganic oxidealiphatic heteromonocyclic compoundorganopnictogen compoundhydroxy acidcarboxamide groupn-acyl-amineoxacycledialkyldisulfideorganic oxygen compoundphosphoric acid estersecondary alcoholalpha-oligopeptideorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
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