DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 16:32:23 UTC
Update Date	2025-03-25 01:28:22 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02414289
Frequency	0.5
Structure
Chemical Formula	C₂₉H₄₈N₄O₂₁P₄S
Molecular Mass	944.1482
SMILES	CCCC=CC=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC1OC(n2ccc(=O)[nH]c2=O)C(O)C1CP(=O)(O)O
InChI Key	BEEGCQAXOWXNDY-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	azacyclic compounds beta amino acids and derivatives carbonyl compounds carbothioic s-esters carboxylic acids and derivatives fatty acyl thioesters heteroaromatic compounds hydrocarbon derivatives lactams monoalkyl phosphates monosaccharides n-acyl amines organic carbonic acids and derivatives organic oxides organic phosphonic acids and derivatives organonitrogen compounds organophosphorus compounds organopnictogen compounds oxacyclic compounds pyrimidones secondary alcohols secondary carboxylic acid amides sulfenyl compounds tetrahydrofurans thioesters thiolactones vinylogous amides
Substituents	fatty acyl carbonyl group lactam aromatic heteromonocyclic compound pentose phosphate fatty amide pentose-5-phosphate pyrimidone organosulfur compound carboxylic acid derivative pyrimidine carbothioic s-ester organic oxide organonitrogen compound organopnictogen compound organophosphorus compound fatty acyl thioester thiolactone organophosphonic acid derivative organoheterocyclic compound alcohol vinylogous amide thiocarboxylic acid or derivatives carbonic acid derivative sulfenyl compound azacycle tetrahydrofuran thiocarboxylic acid ester heteroaromatic compound carboxamide group n-acyl-amine beta amino acid or derivatives oxacycle secondary carboxylic acid amide phosphoric acid ester monoalkyl phosphate secondary alcohol hydrocarbon derivative organic nitrogen compound organic phosphoric acid derivative alkyl phosphate

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