DeepMet

Record Information
HMDB Status	quantified
Creation Date	2024-02-20 23:48:23 UTC
Update Date	2025-03-21 18:01:46 UTC
HMDB ID	HMDB0013464
Metabolite Identification
DeepMet ID	DMID00034629
Name	SM(d18:0/16:1(9Z))
Frequency	103.7
Structure
Chemical Formula	C₃₉H₈₀N₂O₆P+
Molecular Mass	703.5749
SMILES	CCCCCCC=CCCCCCCCC(=O)NC(COP(=O)(O)OCC[N+](C)(C)C)C(O)CCCCCCCCCCCCCCC
InChI Key	CGVOQSQIYSUXAT-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	amines carbonyl compounds carboxylic acids and derivatives dialkyl phosphates hydrocarbon derivatives n-acyl amines organic cations organic oxides organic salts organopnictogen compounds phosphocholines phosphoethanolamines secondary alcohols secondary carboxylic acid amides tetraalkylammonium salts
Substituents	fatty acyl aliphatic acyclic compound carbonyl group fatty amide carboxylic acid derivative phosphoethanolamine organic oxide organonitrogen compound organopnictogen compound organic cation organic salt alcohol tetraalkylammonium salt quaternary ammonium salt carboxamide group n-acyl-amine phosphocholine secondary carboxylic acid amide dialkyl phosphate 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

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