DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:38:34 UTC
Update Date	2025-03-25 00:45:58 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02152444
Frequency	0.5
Structure
Chemical Formula	C₁₃H₂₂N₅O₁₁P
Molecular Mass	455.1053
SMILES	NC(CCCNc1nc(=O)n(C2OC(COP(=O)(O)O)C(O)C2O)c(=O)[nH]1)C(=O)O
InChI Key	SFBFTXYDISFBKV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic oxygen compounds
Class	organooxygen compounds
Subclass	carbohydrates and carbohydrate conjugates
Direct Parent	pentose phosphates
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1,2-diols alpha amino acids amino acids azacyclic compounds carbonyl compounds carboxylic acids halo-s-triazines heteroaromatic compounds hydrocarbon derivatives monoalkyl phosphates monoalkylamines monocarboxylic acids and derivatives monosaccharides n-aliphatic s-triazines organic carbonic acids and derivatives organic oxides organopnictogen compounds oxacyclic compounds secondary alcohols secondary alkylarylamines tetrahydrofurans triazinones
Substituents	n-aliphatic s-triazine carbonyl group amino-1,3,5-triazine carboxylic acid aromatic heteromonocyclic compound pentose phosphate amino acid or derivatives amino acid pentose-5-phosphate alpha-amino acid or derivatives carboxylic acid derivative organic oxide organonitrogen compound alpha-amino acid organopnictogen compound organoheterocyclic compound 1,2-diol alcohol carbonic acid derivative azacycle tetrahydrofuran aminotriazine heteroaromatic compound secondary amine secondary aliphatic/aromatic amine oxacycle monocarboxylic acid or derivatives phosphoric acid ester halo-s-triazine monoalkyl phosphate secondary alcohol triazine hydrocarbon derivative 1,3,5-triazine primary aliphatic amine organic nitrogen compound organic phosphoric acid derivative triazinone alkyl phosphate amine

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