DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:02:47 UTC
Update Date	2025-03-21 18:07:22 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00068815
Frequency	44.0
Structure
Chemical Formula	C₂₆H₅₁N₃O₈P+
Molecular Mass	564.3408
SMILES	CCCCCCC=CCCCCCCCC(=O)NC(COP(=O)(O)OCC[N+](C)(C)C)C(=O)NCC(=O)O
InChI Key	QDSRDWNZPGPJFU-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	acyl glycines
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids amines carbonyl compounds carboxylic acids dialkyl phosphates dipeptides hydrocarbon derivatives monocarboxylic acids and derivatives n-acyl amines organic cations organic oxides organic salts organopnictogen compounds phosphocholines phosphoethanolamines secondary carboxylic acid amides tetraalkylammonium salts
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid fatty amide alpha peptide phosphoethanolamine organic oxide organonitrogen compound alpha-amino acid organopnictogen compound organic cation organic salt alpha-amino acid amide tetraalkylammonium salt quaternary ammonium salt carboxamide group n-acyl-amine n-acylglycine phosphocholine alpha-dipeptide 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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