| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:06:55 UTC |
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| Update Date | 2025-03-25 00:56:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02217328 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H22N4O5 |
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| Molecular Mass | 326.159 |
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| SMILES | Nc1c(C(=O)CC(N)C(=O)O)ccn1CCCCC(N)C(=O)O |
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| InChI Key | VSTAXCYMTRSKLR-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 acidsamino fatty acidsaryl alkyl ketonesazacyclic compoundscarboxylic acidsdicarboxylic acids and derivativesfatty acylsgamma-keto acids and derivativesheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativesmedium-chain keto acids and derivativesmonoalkylaminesorganic oxidesorganopnictogen compoundssubstituted pyrrolesvinylogous amides |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidaryl alkyl ketonearomatic heteromonocyclic compoundamino acidheterocyclic fatty acidsubstituted pyrroleketoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundvinylogous amideazacycleheteroaromatic compoundamino fatty acidgamma-keto acidorganic oxygen compoundketo acidpyrroledicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineprimary amineorganic nitrogen compoundamineorganooxygen compoundaryl ketonemedium-chain keto acid |
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