Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 01:54:07 UTC |
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Update Date | 2025-03-21 20:07:00 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00329277 |
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Frequency | 5.9 |
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Structure | |
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Chemical Formula | C45H63N13O12S2 |
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Molecular Mass | 1041.4161 |
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SMILES | N=C(O)CCC1NC(=O)C(Cc2ccccc2)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(N)CSSCC(C(=O)N2CCCCC2C(=O)NC(CCCNC(=N)N)C(=O)O)NC(=O)C(CC(=N)O)NC1=O |
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InChI Key | KLTFRLKONUIAFZ-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 | aromatic heteromonocyclic compounds |
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Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalpha amino acid amidesalpha amino acidsarginine and derivativesazacyclic compoundsbenzene and substituted derivativescarbonyl compoundscarboximidamidescarboximidic acidscarboxylic acidscyclic peptidesguanidineshydrocarbon derivativesimineslactamsmacrolactamsmonoalkylaminesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsn-acylpiperidinesorganic disulfidesorganic oxidesorganopnictogen compoundspiperidinecarboxamidessecondary carboxylic acid amidestertiary carboxylic acid amides |
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Substituents | carboximidic acidmonocyclic benzene moietycarbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundguanidineimine1-hydroxy-2-unsubstituted benzenoidalpha-amino acid or derivativesmacrolactamorganic oxidearginine or derivativestertiary carboxylic acid amideorganonitrogen compoundalpha-amino acidorganopnictogen compoundpiperidineorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesalpha-amino acid amideazacyclen-acyl-alpha-amino acidpiperidinecarboxamidecarboximidamidecarboxamide groupsecondary carboxylic acid amiden-acyl-piperidinemonocarboxylic acid or derivativesorganic oxygen compoundcyclic alpha peptideorganic disulfidephenolhydrocarbon derivativebenzenoidprimary aliphatic aminealpha-oligopeptideorganic nitrogen compound2-piperidinecarboxamideorganooxygen compound |
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