DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 08:58:48 UTC
Update Date	2025-03-24 20:07:13 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01344551
Frequency	1.0
Structure
Chemical Formula	C₅₇H₁₀₆N₂O₂₄P₂
Molecular Mass	1264.6611
SMILES	CCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=O)OC1C(NC(=O)CC(O)CCCCCCCCCCC)C(OP(=O)(O)O)OC(COC2(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O2)C1OP(=O)(O)O
InChI Key	VTQXDGFKKKAVOV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	lipids and lipid-like molecules
Class	saccharolipids
Subclass	saccharolipids
Direct Parent	saccharolipids
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	acetamides acylaminosugars c-glucuronides carbonyl compounds carboxylic acid esters carboxylic acids fatty acid esters hexose phosphates hydrocarbon derivatives ketals monoalkyl phosphates monosaccharides n-acyl amines n-acyl-alpha-hexosamines organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes primary alcohols pyran carboxylic acids secondary alcohols secondary carboxylic acid amides tricarboxylic acids and derivatives
Substituents	fatty acyl carbonyl group carboxylic acid fatty amide monosaccharide tricarboxylic acid or derivatives carboxylic acid derivative pyran carboxylic acid n-acyl-alpha-hexosamine saccharide organic oxide acetal ketal aliphatic heteromonocyclic compound organonitrogen compound organopnictogen compound oxane primary alcohol organoheterocyclic compound acetamide c-glucuronide alcohol amino saccharide pyran carboxylic acid or derivatives carboxamide group n-acyl-amine acylaminosugar oxacycle secondary carboxylic acid amide fatty acid ester organic oxygen compound phosphoric acid ester pyran monoalkyl phosphate carboxylic acid ester hexose phosphate secondary alcohol hydrocarbon derivative organic nitrogen compound saccharolipid organic phosphoric acid derivative alkyl phosphate organooxygen compound

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