DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:19:17 UTC
Update Date	2025-03-25 01:00:53 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02245450
Frequency	0.5
Structure
Chemical Formula	C₂₇H₅₆N₂O₇P+
Molecular Mass	551.382
SMILES	CCCCCCCCCCCCCCCC=CC(O)C(COP(=O)(O)OCC[N+](C)(C)C)NCC(=O)O
InChI Key	FBCMPOLQZMXLDX-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 acids amino acids carbonyl compounds carboxylic acids dialkyl phosphates dialkylamines hydrocarbon derivatives monocarboxylic acids and derivatives organic cations organic oxides organic salts organopnictogen compounds phosphocholines phosphoethanolamines secondary alcohols tetraalkylammonium salts
Substituents	aliphatic acyclic compound carbonyl group carboxylic acid amino acid or derivatives amino acid alpha-amino acid or derivatives carboxylic acid derivative phosphoethanolamine organic oxide organonitrogen compound alpha-amino acid organopnictogen compound organic cation organic salt alcohol secondary aliphatic amine tetraalkylammonium salt quaternary ammonium salt secondary amine phosphocholine dialkyl phosphate monocarboxylic acid or derivatives organic oxygen compound phosphoric acid ester secondary alcohol hydrocarbon derivative sphingoid-1-phosphate or derivatives organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

Showing information for DMID02245450