DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 06:21:52 UTC
Update Date	2025-03-24 16:48:19 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00967058
Frequency	1.5
Structure
Chemical Formula	C₃₂H₅₀N₆O₁₉P₂S
Molecular Mass	916.2327
SMILES	CCCC=CC=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc(C(=O)NC(CC(=O)O)C(=O)O)c2N)C(O)C1O
InChI Key	RCDDRTYIRFZKQS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	imidazole ribonucleosides and ribonucleotides
Subclass	1-ribosyl-imidazolecarboxamides
Direct Parent	1-ribosyl-imidazolecarboxamides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	2-heteroaryl carboxamides alpha amino acids amino acids aspartic acid and derivatives azacyclic compounds beta amino acids and derivatives carbonyl compounds carbonylimidazoles carbothioic s-esters carboxylic acids dicarboxylic acids and derivatives fatty acyl thioesters heteroaromatic compounds hydrocarbon derivatives imidazoles monoalkyl phosphates monosaccharides n-acyl amines n-acyl-alpha amino acids n-substituted imidazoles organic oxides organic pyrophosphates organopnictogen compounds oxacyclic compounds pentose phosphates primary amines secondary alcohols secondary carboxylic acid amides sulfenyl compounds tetrahydrofurans thioesters thiolactones vinylogous amides
Substituents	carboxylic acid amino acid or derivatives monosaccharide pentose-5-phosphate alpha-amino acid or derivatives 2-heteroaryl carboxamide carbothioic s-ester saccharide organonitrogen compound alpha-amino acid organoheterocyclic compound n-acyl-alpha amino acid or derivatives alcohol vinylogous amide sulfenyl compound azacycle n-acyl-alpha-amino acid thiocarboxylic acid ester heteroaromatic compound organic pyrophosphate secondary carboxylic acid amide monoalkyl phosphate aspartic acid or derivatives dicarboxylic acid or derivatives hydrocarbon derivative primary amine amine fatty acyl carbonyl group aromatic heteromonocyclic compound pentose phosphate amino acid fatty amide organosulfur compound carboxylic acid derivative organic oxide imidazole organopnictogen compound imidazole-4-carbonyl group fatty acyl thioester thiolactone azole n-substituted imidazole thiocarboxylic acid or derivatives tetrahydrofuran carboxamide group n-acyl-amine beta amino acid or derivatives 1-ribosyl-imidazolecarboxamide oxacycle organic oxygen compound phosphoric acid ester secondary alcohol organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound

Showing information for DMID00967058