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In-Silico Structure Database (LMISSD)

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Common Name

CerP(d14:1(8E)/20:4(7E,10E,13E,16E))

Systematic Name

N-(7E,10E,13E,16E-eicosatetraenoyl)-8E-tetradecasphingenine-1-phosphate

LM ID

LMSP02059AHS

Status

Active (generated by computational methods)

Exact Mass

Calculate m/z

609.415827

Formula

C₃₄H₆₀NO₆P

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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)

VWIGBFNTMDZASH-SYJYUOTISA-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/h7,9,12-14,16-17,19-21,32-33,36H,3-6,8,10-11,15,18,22-31H2,1-2H3,(H,35,37)(H2,38,39,40)/b9-7+,14-13+,17-16+,20-19+,21-12+/t32-,33+/m0/s1

SMILES (Click to copy)

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