DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:10:08 UTC
Update Date	2025-03-25 00:57:26 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02224747
Frequency	0.5
Structure
Chemical Formula	C₁₅H₂₅N₄O₁₀P
Molecular Mass	452.1308
SMILES	Nc1c(C(=O)NCCCC(N)C(=O)O)ccn1C1OC(COP(=O)(O)O)C(O)C1O
InChI Key	KPOAFXNUNHEASR-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 heteroaromatic compounds hydrocarbon derivatives monoalkyl phosphates monoalkylamines monocarboxylic acids and derivatives monosaccharides organic oxides organopnictogen compounds oxacyclic compounds pyrrole carboxamides secondary alcohols secondary carboxylic acid amides substituted pyrroles tetrahydrofurans vinylogous amides
Substituents	carbonyl group carboxylic acid aromatic heteromonocyclic compound pyrrole-3-carboxylic acid or derivatives pentose phosphate amino acid or derivatives amino acid pentose-5-phosphate alpha-amino acid or derivatives substituted pyrrole carboxylic acid derivative organic oxide organonitrogen compound pyrrole-3-carboxamide alpha-amino acid organopnictogen compound organoheterocyclic compound 1,2-diol alcohol vinylogous amide azacycle tetrahydrofuran heteroaromatic compound carboxamide group oxacycle secondary carboxylic acid amide monocarboxylic acid or derivatives phosphoric acid ester monoalkyl phosphate pyrrole secondary alcohol hydrocarbon derivative primary aliphatic amine primary amine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate

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