| Record Information |
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| HMDB Status | detected |
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| Creation Date | 2024-02-20 23:40:03 UTC |
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| Update Date | 2025-03-21 17:58:37 UTC |
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| HMDB ID | HMDB0255912 |
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| Metabolite Identification |
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| DeepMet ID | DMID00015529 |
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| Name | Octopine |
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| Frequency | 306.6 |
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| Structure | |
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| Chemical Formula | C9H18N4O4 |
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| Molecular Mass | 246.1328 |
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| SMILES | CC(NC(CCCNC(=N)N)C(=O)O)C(=O)O |
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| InChI Key | IMXSCCDUAFEIOE-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 | aliphatic acyclic compounds |
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| Alternative Parents | alanine and derivativesalpha amino acidsamino acidscarbonyl compoundscarboximidamidescarboxylic acidsdialkylaminesdicarboxylic acids and derivativesfatty acids and conjugatesguanidineshydrocarbon derivativesiminesorganic oxidesorganopnictogen compounds |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidamino acidguanidineiminefatty acidorganic oxidearginine or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compoundsecondary aliphatic aminecarboximidamidesecondary amineorganic oxygen compounddicarboxylic acid or derivativesalanine or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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