| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 10:37:34 UTC |
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| Update Date | 2025-03-24 20:50:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01580800 |
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| Frequency | 0.8 |
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| Structure | |
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| Chemical Formula | C44H61N13O12S3 |
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| Molecular Mass | 1059.3725 |
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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)N2CCSCC2C(=O)NC(CCCNC(=N)N)C(=O)O)NC(=O)C(CC(=N)O)NC1=O |
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| InChI Key | CBTGWGOVRURJJT-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 acidsarginine and derivativesazacyclic compoundsbenzene and substituted derivativescarbonyl compoundscarboximidamidescarboximidic acidscarboxylic acidscyclic peptidesdialkylthioethersguanidineshydrocarbon derivativesimineslactamsmacrolactamsmonoalkylaminesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic disulfidesorganic oxidesorganopnictogen compoundssecondary carboxylic acid amidestertiary carboxylic acid amidesthiomorpholines |
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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 compoundorganoheterocyclic compoundn-acyl-alpha amino acid or derivatives1,4-thiazinaneazacyclen-acyl-alpha-amino aciddialkylthioethercarboximidamidecarboxamide groupsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundcyclic alpha peptidethioetherorganic disulfidephenolhydrocarbon derivativebenzenoidprimary aliphatic aminealpha-oligopeptideorganic nitrogen compoundorganooxygen compound |
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