| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:21 UTC |
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| Update Date | 2025-03-25 00:59:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02236392 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H19N5O12P2 |
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| Molecular Mass | 499.0505 |
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| SMILES | O=c1nc(NCCO)cnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)O)C(O)C1O |
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| InChI Key | VDWYVBLKMXIUST-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 heteropolycyclic compounds |
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| Alternative Parents | 1,4-diazepinesalkanolaminesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamsmonoalkyl phosphatesmonosaccharidesn-substituted imidazolesorganic oxidesorganic pyrophosphatesorganopnictogen compoundsoxacyclic compoundssecondary alcoholssecondary alkylarylaminestetrahydrofuransvinylogous amides |
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| Substituents | pentose phosphatepentose-5-phosphateorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundimidolactamorganoheterocyclic compoundalkanolamineazolen-substituted imidazolealcoholvinylogous amideazacycletetrahydrofuranheteroaromatic compoundsecondary amineorganic pyrophosphatesecondary aliphatic/aromatic amineoxacyclepara-diazepinephosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateamine |
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