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Record Information
Version1.0
StatusDetected and Quantified
Creation Date2020-12-10 18:51:38 UTC
Update Date2024-04-30 19:33:22 UTC
Metabolite IDMMDBc0000636
Metabolite Identification
Common NameLysoPC(P-18:1(9Z)/0:0)
Description
Structure
Synonyms
Molecular FormulaC26H52NO6P
Average Mass505.6679
Monoisotopic Mass505.353224913
IUPAC Name(2-{[(2R)-2-hydroxy-3-[(1Z,9Z)-octadeca-1,9-dien-1-yloxy]propyl phosphono]oxy}ethyl)trimethylazanium
Traditional Name(2-{[(2R)-2-hydroxy-3-[(1Z,9Z)-octadeca-1,9-dien-1-yloxy]propyl phosphono]oxy}ethyl)trimethylazanium
CAS Registry NumberNot Available
SMILES
[H][C@@](O)(CO\C=C/CCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C
InChI Identifier
InChI=1S/C26H52NO6P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-31-24-26(28)25-33-34(29,30)32-23-21-27(2,3)4/h12-13,20,22,26,28H,5-11,14-19,21,23-25H2,1-4H3/b13-12-,22-20-/t26-/m1/s1
InChI KeyKJUNGQXFZYMUOH-FKWLWHCOSA-N