DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 11:49:17 UTC
Update Date	2025-03-24 21:21:33 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01752553
Frequency	0.7
Structure
Chemical Formula	C₄₆H₉₁NO₂₂P₄
Molecular Mass	1133.4983
SMILES	CCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=O)NC1C(OC(=O)CC(O)CCCCCCCCCCC)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)O
InChI Key	SDWRLNNRGUYEDX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	hydroxy acids and derivatives
Subclass	beta hydroxy acids and derivatives
Direct Parent	beta hydroxy acids and derivatives
Geometric Descriptor	aliphatic homomonocyclic compounds
Alternative Parents	carbonyl compounds carboxylic acid esters cyclitols and derivatives dicarboxylic acids and derivatives fatty acid esters hydrocarbon derivatives monoalkyl phosphates n-acyl amines organic oxides organonitrogen compounds organopnictogen compounds secondary alcohols secondary carboxylic acid amides
Substituents	fatty acyl carbonyl group fatty amide carboxylic acid derivative beta-hydroxy acid organic oxide organonitrogen compound organopnictogen compound alcohol cyclitol or derivatives carboxamide group n-acyl-amine secondary carboxylic acid amide fatty acid ester organic oxygen compound phosphoric acid ester monoalkyl phosphate carboxylic acid ester secondary alcohol aliphatic homomonocyclic compound dicarboxylic acid or derivatives hydrocarbon derivative organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound

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