| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:36 UTC |
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| Update Date | 2025-03-25 00:51:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02184390 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H24N4O5S2 |
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| Molecular Mass | 428.1188 |
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| SMILES | NC(CSSCC(N)C(O)NC(Cc1c[nH]c2ccccc12)C(=O)O)C(=O)O |
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| InChI Key | GHHUYURTVPJOHV-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 | cysteine and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsdialkylaminesdialkyldisulfidesdicarboxylic acids and derivativeshemiaminalsheteroaromatic compoundshydrocarbon derivativesindolesmonoalkylaminesorganic oxidesorganopnictogen compoundspyrrolessulfenyl compounds |
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| Substituents | carbonyl groupcarboxylic acidamino acidindoleorganosulfur compoundhemiaminalorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundalkanolaminesecondary aliphatic aminesulfenyl compoundazacycleheteroaromatic compoundindole or derivativessecondary aminedialkyldisulfideorganic oxygen compoundorganic disulfidecysteine or derivativespyrroledicarboxylic acid or derivativeshydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundamine |
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