DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:16:06 UTC
Update Date	2025-03-25 00:59:35 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02238068
Frequency	0.5
Structure
Chemical Formula	C₁₃H₁₆N₃O₁₁P
Molecular Mass	421.0522
SMILES	O=C(O)CC(NC(=O)c1cn(C2C(O)C(O)C3OP(=O)(O)OC32)cn1)C(=O)O
InChI Key	ALYZNGFGWYCWJT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	amino acids, peptides, and analogues
Direct Parent	aspartic acid and derivatives
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1,2-diols 2-heteroaryl carboxamides alpha amino acids azacyclic compounds carbonyl compounds carbonylimidazoles carboxylic acids cyclic alcohols and derivatives dicarboxylic acids and derivatives dioxaphospholanes heteroaromatic compounds hydrocarbon derivatives imidazoles n-acyl-alpha amino acids n-substituted imidazoles organic oxides organic phosphoric acids and derivatives organonitrogen compounds organopnictogen compounds oxacyclic compounds secondary alcohols secondary carboxylic acid amides vinylogous amides
Substituents	carbonyl group carboxylic acid 2-heteroaryl carboxamide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound alpha-amino acid organopnictogen compound imidazole-4-carbonyl group organoheterocyclic compound azole 1,2-diol n-substituted imidazole n-acyl-alpha amino acid or derivatives alcohol vinylogous amide azacycle n-acyl-alpha-amino acid heteroaromatic compound 1,3_dioxaphospholane cyclic alcohol carboxamide group oxacycle secondary carboxylic acid amide organic oxygen compound aspartic acid or derivatives secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative organic nitrogen compound organic phosphoric acid derivative organooxygen compound

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