| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:12:01 UTC |
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| Update Date | 2025-03-21 18:32:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00090818 |
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| Frequency | 31.0 |
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| Structure | |
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| Chemical Formula | C13H21N3O3S |
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| Molecular Mass | 299.1304 |
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| SMILES | CN(C)Cc1ccc(CSCCC(N)=NCC(=O)O)o1 |
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| InChI Key | LXXOJNBJRLWAGU-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 | alpha amino acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | amidinesamino acidsaralkylaminescarbonyl compoundscarboximidamidescarboxylic acidsdialkylthioethersfuransheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsoxacyclic compoundspropargyl-type 1,3-dipolar organic compoundssulfenyl compoundstrialkylamines |
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| Substituents | furancarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acidamidineorganosulfur compoundaralkylaminepropargyl-type 1,3-dipolar organic compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundtertiary amineorganoheterocyclic compoundsulfenyl compounddialkylthioetherheteroaromatic compoundtertiary aliphatic amineorganic 1,3-dipolar compoundcarboximidamideoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundthioetherhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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