| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:09:48 UTC |
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| Update Date | 2025-03-21 18:31:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00085653 |
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| Frequency | 33.3 |
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| Structure | |
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| Chemical Formula | C15H24N4O5S |
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| Molecular Mass | 372.1467 |
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| SMILES | CN(C)Cc1ccc(CSCCNC(=N)NC(CC(=O)O)C(=O)O)o1 |
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| InChI Key | RTIODEORXLFPLC-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 | aspartic acid and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsaralkylaminescarbonyl compoundscarboximidamidescarboxylic acidsdialkylthioethersdicarboxylic acids and derivativesfuransguanidinesheteroaromatic compoundshydrocarbon derivativesiminesorganic oxidesorganopnictogen compoundsoxacyclic compoundssulfenyl compoundstrialkylamines |
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| Substituents | furancarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acidguanidineimineorganosulfur compoundaralkylamineorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundtertiary amineorganoheterocyclic compoundsulfenyl compounddialkylthioetherheteroaromatic compoundtertiary aliphatic aminecarboximidamideoxacycleorganic oxygen compoundthioetheraspartic acid or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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