DeepMet

Record Information
HMDB Status	quantified
Creation Date	2024-02-21 15:06:19 UTC
Update Date	2025-03-25 00:56:04 UTC
HMDB ID	HMDB0010397
Metabolite Identification
DeepMet ID	DMID02215923
Name	LysoPC(20:5(5Z,8Z,11Z,14Z,17Z)/0:0)
Frequency	0.5
Structure
Chemical Formula	C₂₈H₄₉NO₇P+
Molecular Mass	542.3241
SMILES	CCC=CCC=CCC=CCC=CCC=CCCCC(=O)OCC(O)COP(=O)(O)OCC[N+](C)(C)C
InChI Key	PDIGSOAOQOXRDU-UHFFFAOYSA-O
Chemical Taxonomy
Kingdom	organic compounds
Superclass	lipids and lipid-like molecules
Class	glycerophospholipids
Subclass	glycerophosphocholines
Direct Parent	1-acyl-sn-glycero-3-phosphocholines
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	amines carbonyl compounds carboxylic acid esters dialkyl phosphates fatty acid esters glycerophosphocholines hydrocarbon derivatives monocarboxylic acids and derivatives organic cations organic oxides organic salts organopnictogen compounds phosphocholines secondary alcohols tetraalkylammonium salts
Substituents	fatty acyl aliphatic acyclic compound carbonyl group 1-acyl-sn-glycero-3-phosphocholine carboxylic acid derivative organic oxide organonitrogen compound organopnictogen compound organic cation organic salt alcohol tetraalkylammonium salt quaternary ammonium salt phosphocholine fatty acid ester dialkyl phosphate monocarboxylic acid or derivatives organic oxygen compound phosphoric acid ester carboxylic acid ester secondary alcohol hydrocarbon derivative organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

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