| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:55:39 UTC |
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| Update Date | 2025-03-21 18:04:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00051984 |
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| Frequency | 62.7 |
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| Structure | |
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| Chemical Formula | C15H22N4O4 |
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| Molecular Mass | 322.1641 |
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| SMILES | N=C(N)NCCCC(NC(Cc1ccccc1)C(=O)O)C(=O)O |
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| InChI Key | BFNFWUMZJBVXNB-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 | arginine and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsamphetamines and derivativesbenzene and substituted derivativescarbonyl compoundscarboximidamidescarboxylic acidsdialkylaminesdicarboxylic acids and derivativesguanidineshydrocarbon derivativesiminesorganic oxidesorganopnictogen compoundsphenylalanine and derivativesphenylpropanoic acids |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidamino acidguanidineimineorganic oxidearginine or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivativessecondary aliphatic aminecarboximidamidesecondary aminearomatic homomonocyclic compoundphenylalanine or derivativesorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
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