LIPID MAPS

In-Silico Structure Database (LMISSD)

View 3D

Common Name

CerP(d14:1(8E)/20:4(5Z,8Z,11Z,13E))

Systematic Name

N-(5Z,8Z,11Z,13E-eicosatetraenoyl)-8E-tetradecasphingenine-1-phosphate

LM ID

LMSP02059AHP

Status

Active (generated by computational methods)

Exact Mass

Calculate m/z

609.415827

Formula

C₃₄H₆₀NO₆P

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)

XTUUNOQSAZJOQX-HLEJZTSQSA-N

InChi (Click to copy)

InChI=1S/C34H60NO6P/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-22-24-26-28-30-34(37)35-32(31-41-42(38,39)40)33(36)29-27-25-23-21-12-10-8-6-4-2/h12-16,18-19,21-22,24,32-33,36H,3-11,17,20,23,25-31H2,1-2H3,(H,35,37)(H2,38,39,40)/b14-13+,16-15-,19-18-,21-12+,24-22-/t32-,33+/m0/s1

SMILES (Click to copy)

[C@](COP(=O)(O)O)([H])(NC(CCC/C=C\C/C=C\C/C=C\C=C\CCCCCC)=O)[C@]([H])(O)CCCC/C=C/CCCCC