| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:52:23 UTC |
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| Update Date | 2025-03-21 18:03:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00044267 |
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| Frequency | 76.5 |
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| Structure | |
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| Chemical Formula | C11H19N3O11P2 |
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| Molecular Mass | 431.0495 |
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| SMILES | NCCOP(=O)(O)OP(=O)(O)OCC1OC(n2ccc(=O)[nH]c2=O)CC1O |
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| InChI Key | IEQBASIRDMZSPM-UHFFFAOYSA-N |
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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 | organooxygen compounds |
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| Subclass | carbohydrates and carbohydrate conjugates |
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| Direct Parent | pentose phosphates |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativeslactamsmonoalkyl phosphatesmonoalkylaminesmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganic pyrophosphatesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsphosphoethanolaminespyrimidonessecondary alcoholstetrahydrofuransvinylogous amides |
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| Substituents | lactamaromatic heteromonocyclic compoundpentose phosphatepyrimidonepyrimidinephosphoethanolamineorganic oxideorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundalcoholvinylogous amidecarbonic acid derivativeazacycletetrahydrofuranheteroaromatic compoundorganic pyrophosphateoxacyclephosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphate |
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