DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:12:19 UTC
Update Date	2025-03-25 00:58:14 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02229457
Frequency	0.5
Structure
Chemical Formula	C₂₈H₅₉N₃O₆P+
Molecular Mass	564.4136
SMILES	CCCCCCCCCCCCCC=CC(O)C(COP(=O)(O)OCC[N+](C)(C)C)NC(=O)C(N)C(C)C
InChI Key	BXGLMBHPMGXZEK-UHFFFAOYSA-O
Chemical Taxonomy
Kingdom	organic compounds
Superclass	lipids and lipid-like molecules
Class	sphingolipids
Subclass	phosphosphingolipids
Direct Parent	phosphosphingolipids
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids amines carbonyl compounds carboxylic acids and derivatives dialkyl phosphates hydrocarbon derivatives monoalkylamines n-acyl amines organic cations organic oxides organic salts organopnictogen compounds phosphocholines phosphoethanolamines secondary alcohols secondary carboxylic acid amides tetraalkylammonium salts valine and derivatives
Substituents	fatty acyl aliphatic acyclic compound carbonyl group fatty amide alpha-amino acid or derivatives carboxylic acid derivative phosphoethanolamine organic oxide organonitrogen compound alpha-amino acid organopnictogen compound organic cation organic salt alcohol alpha-amino acid amide tetraalkylammonium salt quaternary ammonium salt valine or derivatives carboxamide group n-acyl-amine phosphocholine secondary carboxylic acid amide dialkyl phosphate organic oxygen compound phosphoric acid ester secondary alcohol hydrocarbon derivative primary aliphatic amine sphingoid-1-phosphate or derivatives organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

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