| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:31 UTC |
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| Update Date | 2025-03-25 00:45:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02152330 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H21N3O5 |
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| Molecular Mass | 311.1481 |
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| SMILES | NC(CCCCn1c(C=NCC(=O)O)ccc1CO)C(=O)O |
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| InChI Key | WWYJZGADPMBFJZ-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 | aldiminesamino fatty acidsaromatic alcoholsazacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonoalkylaminesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssubstituted pyrroles |
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| Substituents | aromatic alcoholfatty acylcarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundheterocyclic fatty acidiminefatty acidsubstituted pyrrolemedium-chain hydroxy acidpropargyl-type 1,3-dipolar organic compoundaldimineorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acidorganoheterocyclic compoundalcoholazacycleheteroaromatic compoundorganic 1,3-dipolar compoundamino fatty acidorganic oxygen compoundpyrroledicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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