DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 05:29:40 UTC
Update Date	2025-03-24 14:27:09 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00842183
Frequency	1.8
Structure
Chemical Formula	C₂₇H₅₂N₂O₂₁P₄S
Molecular Mass	896.1734
SMILES	CCCC=CC=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)O[PH](O)(O)OCC1OC(COP(=O)(O)O)C(O)C(O)C1CP(=O)(O)O
InChI Key	YNBNYBLDTLRGPK-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	beta amino acids and derivatives
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	carbonyl compounds carbothioic s-esters carboxylic acids and derivatives dialkyl ethers fatty acyl thioesters hydrocarbon derivatives monoalkyl phosphates monosaccharides n-acyl amines organic oxides organic phosphonic acids and derivatives organonitrogen compounds organophosphorus compounds organopnictogen compounds oxacyclic compounds oxanes secondary alcohols secondary carboxylic acid amides sulfenyl compounds thioesters thiolactones
Substituents	fatty acyl carbonyl group ether fatty amide monosaccharide organosulfur compound dialkyl ether carbothioic s-ester saccharide organic oxide aliphatic heteromonocyclic compound organonitrogen compound organopnictogen compound organophosphorus compound oxane fatty acyl thioester thiolactone organophosphonic acid derivative organoheterocyclic compound alcohol thiocarboxylic acid or derivatives sulfenyl compound thiocarboxylic acid ester carboxamide group n-acyl-amine beta amino acid or derivatives oxacycle secondary carboxylic acid amide organic oxygen compound phosphoric acid ester monoalkyl phosphate secondary alcohol hydrocarbon derivative organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound

Showing information for DMID00842183