| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:04:23 UTC |
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| Update Date | 2025-03-25 00:55:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02211462 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H23N2O8P2S+ |
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| Molecular Mass | 465.0645 |
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| SMILES | CC(=O)NCc1ccc(C[n+]2csc(CCOP(=O)(O)OP(=O)(O)O)c2C)cc1 |
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| InChI Key | ITDBYKOWGGFMJJ-UHFFFAOYSA-O |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organic oxoanionic compounds |
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| Subclass | organic pyrophosphates |
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| Direct Parent | organic pyrophosphates |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 4,5-disubstituted thiazolesacetamidesazacyclic compoundsbenzene and substituted derivativescarbonyl compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesmonoalkyl phosphatesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | monocyclic benzene moietycarbonyl grouparomatic heteromonocyclic compoundcarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundorganic cationorganoheterocyclic compoundacetamideazoleazacycleheteroaromatic compoundcarboxamide grouporganic pyrophosphate4,5-disubstituted 1,3-thiazolesecondary carboxylic acid amidephosphoric acid estermonoalkyl phosphatehydrocarbon derivativebenzenoidorganic nitrogen compoundthiazoleorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
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