DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 12:25:08 UTC
Update Date	2025-03-24 21:37:29 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01837003
Frequency	0.7
Structure
Chemical Formula	C₁₀₀H₁₈₆N₂O₂₈P₂
Molecular Mass	1925.2667
SMILES	CCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=O)OC1C(NC(=O)CC(CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)C(OC(=O)CC(CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)C(OP(=O)(O)O)C(COC2(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O2)C1OP(=O)(O)O
InChI Key	AEPJNFVCBZAJBH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	hexacarboxylic acids and derivatives
Direct Parent	hexacarboxylic acids and derivatives
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	acetamides c-glucuronides carbonyl compounds carboxylic acid esters carboxylic acids cyclitols and derivatives fatty acid esters hydrocarbon derivatives ketals monoalkyl phosphates n-acyl amines organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes primary alcohols pyran carboxylic acids secondary alcohols secondary carboxylic acid amides
Substituents	fatty acyl carbonyl group carboxylic acid fatty amide pyran carboxylic acid organic oxide acetal ketal aliphatic heteromonocyclic compound organonitrogen compound organopnictogen compound oxane hexacarboxylic acid or derivatives primary alcohol organoheterocyclic compound acetamide c-glucuronide alcohol pyran carboxylic acid or derivatives cyclitol or derivatives carboxamide group n-acyl-amine oxacycle secondary carboxylic acid amide fatty acid ester organic oxygen compound phosphoric acid ester pyran monoalkyl phosphate carboxylic acid ester secondary alcohol hydrocarbon derivative organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound

Showing information for DMID01837003