LIPID MAPS

In-Silico Structure Database (LMISSD)

View 3D

Common Name

SM(d15:2(4E,6E)/27:0)

Systematic Name

N-(heptacosanoyl)-4E,6E-pentadecasphingadienine-1-phosphocholine

LM ID

LMSP03019AZX

Status

Active (generated by computational methods)

Exact Mass

Calculate m/z

812.677126

Formula

C₄₇H₉₃N₂O₆P

Download as...

MDLMOL SDF CSV TSV PNG

MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)

KYBCPSLYQFDADD-NKKBVODFSA-N

InChi (Click to copy)

InChI=1S/C47H93N2O6P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-27-28-29-30-31-33-35-37-39-41-47(51)48-45(44-55-56(52,53)54-43-42-49(3,4)5)46(50)40-38-36-34-32-17-15-13-11-9-7-2/h34,36,38,40,45-46,50H,6-33,35,37,39,41-44H2,1-5H3,(H-,48,51,52,53)/b36-34+,40-38+/t45-,46+/m0/s1

SMILES (Click to copy)

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