DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 17:24:29 UTC
Update Date	2025-03-25 01:50:24 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02535827
Frequency	0.5
Structure
Chemical Formula	C₉₆H₁₇₉NO₂₇P₂
Molecular Mass	1840.214
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)CO)OC(C(=O)O)C(O)C2O)C1OP(=O)(O)O
InChI Key	JIIZEKJAMMBBLQ-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	beta hydroxy acids and derivatives carbonyl compounds carboxylic acid esters carboxylic acids cyclitols and derivatives fatty acid esters hydrocarbon derivatives ketals monoalkyl phosphates monosaccharides n-acyl amines organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds primary alcohols secondary alcohols secondary carboxylic acid amides tetrahydrofurans
Substituents	fatty acyl carbonyl group carboxylic acid fatty amide monosaccharide beta-hydroxy acid saccharide organic oxide acetal ketal aliphatic heteromonocyclic compound organonitrogen compound organopnictogen compound hexacarboxylic acid or derivatives primary alcohol organoheterocyclic compound alcohol tetrahydrofuran cyclitol or derivatives hydroxy acid carboxamide group n-acyl-amine oxacycle secondary carboxylic acid amide fatty acid ester organic oxygen compound phosphoric acid ester monoalkyl phosphate carboxylic acid ester secondary alcohol hydrocarbon derivative organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound

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