DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:26:44 UTC
Update Date	2025-03-25 00:41:44 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02125133
Frequency	0.6
Structure
Chemical Formula	C₂₇H₅₀N₂O₂₁P₄S
Molecular Mass	894.1577
SMILES	CCCC=CC=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC1OC(CO)C(O)C(O)C1CP(=O)(O)O
InChI Key	UBUWDLILXLTABZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic oxygen compounds
Class	organooxygen compounds
Subclass	carbohydrates and carbohydrate conjugates
Direct Parent	hexose phosphates
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	beta amino acids and derivatives 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 primary alcohols secondary alcohols secondary carboxylic acid amides sulfenyl compounds thioesters thiolactones
Substituents	fatty acyl carbonyl group ether fatty amide organosulfur compound carboxylic acid derivative dialkyl ether carbothioic s-ester organic oxide aliphatic heteromonocyclic compound organonitrogen compound organopnictogen compound organophosphorus compound oxane primary alcohol 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 phosphoric acid ester monoalkyl phosphate secondary alcohol hexose phosphate hydrocarbon derivative organic nitrogen compound organic phosphoric acid derivative alkyl phosphate

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