DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:34:41 UTC
Update Date	2025-03-25 00:44:34 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02143367
Frequency	0.6
Structure
Chemical Formula	C₅₇H₁₁₀N₂O₂₈P₄
Molecular Mass	1394.6196
SMILES	CCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=O)OC1C(NC(=O)CC(O)CCCCCCCCCCC)C(OP(=O)(O)O)OC(COC2(C(=O)O)CC(OP(=O)(O)OP(=O)(O)OCCN)C(C(O)CO)O2)C1OP(=O)(O)O
InChI Key	YLDNCYCYTZJDJN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic oxygen compounds
Class	organooxygen compounds
Subclass	carbohydrates and carbohydrate conjugates
Direct Parent	acylaminosugars
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	carbonyl compounds carboxylic acid esters carboxylic acids fatty acid esters hexose phosphates hydrocarbon derivatives ketals monoalkyl phosphates monoalkylamines monosaccharides n-acyl amines n-acyl-alpha-hexosamines organic oxides organic pyrophosphates organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes phosphoethanolamines primary alcohols saccharolipids secondary alcohols secondary carboxylic acid amides tetrahydrofurans tricarboxylic acids and derivatives
Substituents	fatty acyl carbonyl group carboxylic acid fatty amide monosaccharide tricarboxylic acid or derivatives carboxylic acid derivative n-acyl-alpha-hexosamine phosphoethanolamine organic oxide acetal ketal aliphatic heteromonocyclic compound organonitrogen compound organopnictogen compound oxane primary alcohol organoheterocyclic compound alcohol tetrahydrofuran carboxamide group n-acyl-amine organic pyrophosphate acylaminosugar oxacycle secondary carboxylic acid amide fatty acid ester phosphoric acid ester monoalkyl phosphate carboxylic acid ester hexose phosphate secondary alcohol hydrocarbon derivative primary aliphatic amine organic nitrogen compound saccharolipid organic phosphoric acid derivative alkyl phosphate

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