DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 11:03:12 UTC
Update Date	2025-03-24 21:00:31 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01641431
Frequency	0.8
Structure
Chemical Formula	C₃₆H₅₂N₆O₁₆P₂S
Molecular Mass	918.2636
SMILES	CCCC=CC=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC(O)C(O)C(O)Cn1c2nc(=O)[nH]c(=O)c-2nc2cc(C)c(C)cc21
InChI Key	FQVJAUAFTKLOON-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	flavin nucleotides
Subclass	flavin nucleotides
Direct Parent	flavin nucleotides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	azacyclic compounds benzenoids beta amino acids and derivatives carbonyl compounds carbothioic s-esters carboxylic acids and derivatives diazanaphthalenes fatty acyl thioesters flavins heteroaromatic compounds hydrocarbon derivatives lactams monoalkyl phosphates monosaccharides n-acyl amines organic carbonic acids and derivatives organic oxides organic pyrophosphates organonitrogen compounds organopnictogen compounds pyrazines pyrimidones quinoxalines secondary alcohols secondary carboxylic acid amides sulfenyl compounds thioesters thiolactones
Substituents	fatty acyl carbonyl group lactam fatty amide monosaccharide pyrimidone organosulfur compound pteridine carboxylic acid derivative isoalloxazine flavin pyrimidine carbothioic s-ester saccharide organic oxide diazanaphthalene aromatic heteropolycyclic compound organonitrogen compound organopnictogen compound fatty acyl thioester thiolactone organoheterocyclic compound alcohol quinoxaline thiocarboxylic acid or derivatives carbonic acid derivative sulfenyl compound azacycle flavin nucleotide thiocarboxylic acid ester heteroaromatic compound carboxamide group n-acyl-amine beta amino acid or derivatives organic pyrophosphate secondary carboxylic acid amide organic oxygen compound phosphoric acid ester monoalkyl phosphate pyrazine secondary alcohol hydrocarbon derivative benzenoid organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound

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