DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 10:04:09 UTC
Update Date	2025-03-24 20:35:35 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01499525
Frequency	0.9
Structure
Chemical Formula	C₇₁H₁₃₄N₂O₂₄P₂
Molecular Mass	1460.8802
SMILES	CCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=O)OC1C(NC(=O)CC(CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)C(C(O)CO)OC(COC2(C(=O)O)CC(OP(=O)(O)OCCN)C(C(O)CO)O2)C1OP(=O)(O)O
InChI Key	HFWICHIDVRTWGM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	tetracarboxylic acids and derivatives
Direct Parent	tetracarboxylic acids and derivatives
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	carbonyl compounds carboxylic acid esters carboxylic acids dialkyl ethers dialkyl phosphates fatty acid esters hydrocarbon derivatives ketals monoalkyl phosphates monoalkylamines monosaccharides n-acyl amines organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes phosphoethanolamines primary alcohols secondary alcohols secondary carboxylic acid amides tetrahydrofurans
Substituents	fatty acyl carbonyl group ether carboxylic acid fatty amide monosaccharide dialkyl ether phosphoethanolamine saccharide organic oxide acetal ketal aliphatic heteromonocyclic compound organonitrogen compound organopnictogen compound oxane primary alcohol organoheterocyclic compound alcohol tetrahydrofuran tetracarboxylic acid or derivatives carboxamide group n-acyl-amine oxacycle secondary carboxylic acid amide fatty acid ester dialkyl phosphate organic oxygen compound phosphoric acid ester monoalkyl phosphate carboxylic acid ester secondary alcohol hydrocarbon derivative primary aliphatic amine organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound

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