| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:13:58 UTC |
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| Update Date | 2025-03-25 00:58:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02233202 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H34N4O3S2 |
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| Molecular Mass | 430.2072 |
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| SMILES | CCN(CC)Cc1ccc(CSCCNC(=S)NCCCCC(N)C(=O)O)o1 |
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| InChI Key | PEASLKXJDVQJDP-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 | amino acidsaralkylaminescarbonyl compoundscarboxylic acidsdialkylthioethersfuransheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativesmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsoxacyclic compoundssulfenyl compoundsthioureastrialkylamines |
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| Substituents | fatty acylfurancarbonyl groupthioureacarboxylic acidaromatic heteromonocyclic compoundamino acidheterocyclic fatty acidfatty acidorganosulfur compoundmedium-chain hydroxy acidaralkylamineorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidtertiary amineorganoheterocyclic compoundsulfenyl compounddialkylthioetherheteroaromatic compoundtertiary aliphatic amineoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundthioetherhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundamineorganooxygen compound |
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