Analyte Name

(7S,23Z)-4-hydroxy-7-[(1R,2E)-1-hydroxy-2-hexadecen-1-yl]-N,N,N-trimethyl-9-oxo-3,5-dioxa-8-aza-4-phosphadotriacont-23-en-1-aminium 4-Oxide Inner Salt

CAS Number

94359-13-4

Molecular Formula

C47H93N2O6P

Molecular Weight

813.24

Accurate Mass

812.68

SMILES

O=C(N[C@@H](COP(OCC[N+](C)(C)C)([O-])=O)[C@@H](/C=C/CCCCCCCCCCCCC)O)CCCCCCCCCCCCC/C=C\CCCCCCCC

InChI

InChI=1S/C47H93N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-47(51)48-45(44-55-56(52,53)54-43-42-49(3,4)5)46(50)40-38-36-34-32-30-28-19-17-15-13-11-9-7-2/h20-21,38,40,45-46,50H,6-19,22-37,39,41-44H2,1-5H3,(H-,48,51,52,53)/b21-20-,40-38+/t45-,46+/m0/s1

IUPAC

(2S,3R,E)-3-hydroxy-2-((Z)-tetracos-15-enamido)octadec-4-en-1-yl (2-(trimethylammonio)ethyl) phosphate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat