DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:56:11 UTC
Update Date	2025-03-25 00:52:15 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02192507
Frequency	0.5
Structure
Chemical Formula	C₃₀H₆₀N₂O₇P+
Molecular Mass	591.4133
SMILES	CCCCCCCCCCCC=CCCCCCCCC(=O)NC(COP(=O)(O)OCC[N+](C)(C)C)CC(=O)O
InChI Key	PRUGLBWHXDOTMD-UHFFFAOYSA-O
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic nitrogen compounds
Class	organonitrogen compounds
Subclass	quaternary ammonium salts
Direct Parent	phosphocholines
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	amines beta amino acids and derivatives carbonyl compounds carboxylic acids dialkyl phosphates hydrocarbon derivatives monocarboxylic acids and derivatives n-acyl amines organic cations organic oxides organic salts organopnictogen compounds phosphoethanolamines secondary carboxylic acid amides short-chain hydroxy acids and derivatives tetraalkylammonium salts
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid short-chain hydroxy acid fatty amide carboxylic acid derivative phosphoethanolamine organic oxide organopnictogen compound organic cation organic salt tetraalkylammonium salt carboxamide group n-acyl-amine beta amino acid or derivatives phosphocholine secondary carboxylic acid amide dialkyl phosphate monocarboxylic acid or derivatives organic oxygen compound phosphoric acid ester hydrocarbon derivative organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

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