DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:18:41 UTC
Update Date	2025-03-25 01:00:40 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02244023
Frequency	0.5
Structure
Chemical Formula	C₃₁H₅₈N₂O₇P+
Molecular Mass	601.3976
SMILES	CCCCCC=CCC=CCC=CCCCCCCCC(=O)NC(CCC(=O)O)COP(=O)(O)OCC[N+](C)(C)C
InChI Key	ZBKAIQQBCFGMOD-UHFFFAOYSA-O
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	amino acids, peptides, and analogues
Direct Parent	gamma amino acids and derivatives
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	amines carbonyl compounds carboxylic acids dialkyl phosphates hydrocarbon derivatives monocarboxylic acids and derivatives n-acyl amines organic cations organic oxides organic salts organopnictogen compounds phosphocholines 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 gamma amino acid or derivatives fatty amide phosphoethanolamine organic oxide organonitrogen compound organopnictogen compound organic cation organic salt tetraalkylammonium salt quaternary ammonium salt carboxamide group n-acyl-amine phosphocholine secondary carboxylic acid amide dialkyl phosphate monocarboxylic acid or derivatives organic oxygen compound phosphoric acid ester hydrocarbon derivative organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

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