| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:29 UTC |
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| Update Date | 2025-03-25 00:50:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02184101 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H29N3O8S |
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| Molecular Mass | 411.1675 |
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| SMILES | NC(CCCCNCC1(O)C(SCC(N)C(=O)O)OC(CO)C1O)C(=O)O |
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| InChI Key | MQTDLEUXSCCNMK-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 | aliphatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidscarbonyl compoundscarboxylic acidsdialkylaminesdicarboxylic acids and derivativesheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonoalkylaminesmonosaccharidesmonothioacetalsorganic oxidesorganopnictogen compoundsoxacyclic compoundsprimary alcoholssecondary alcoholssulfenyl compoundstertiary alcoholstetrahydrofurans |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidamino acidheterocyclic fatty acidmonosaccharidefatty acidorganosulfur compoundmedium-chain hydroxy acidmonothioacetalsaccharideorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acidprimary alcoholorganoheterocyclic compoundalcoholsecondary aliphatic aminesulfenyl compoundtetrahydrofuransecondary amineoxacycletertiary alcoholorganic oxygen compoundcysteine or derivativessecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundamine |
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