LIPID MAPS

Common Name

PS(30:0/18:4(9E,11E,13E,15E))

Systematic Name

1-triacontanoyl-2-(9E,11E,13E,15E-octadecatetraenoyl)-sn-glycero-3-phosphoserine

LM ID

LMGP03019EZI

Status

Active (generated by computational methods)

Exact Mass

Calculate m/z

951.692837

Formula

C₅₄H₉₈NO₁₀P

Predict MS/MS spectrum (Neg. Mode)

Download as...

MDLMOL SDF CSV TSV PNG

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

Classification

String Representations

InChiKey (Click to copy)

PGDVFFRGWKBCMQ-PQXNUOLOSA-N

InChi (Click to copy)

InChI=1S/C54H98NO10P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-32-33-35-37-39-41-43-45-52(56)62-47-50(48-63-66(60,61)64-49-51(55)54(58)59)65-53(57)46-44-42-40-38-36-34-31-18-16-14-12-10-8-6-4-2/h6,8,10,12,14,16,18,31,50-51H,3-5,7,9,11,13,15,17,19-30,32-49,55H2,1-2H3,(H,58,59)(H,60,61)/b8-6+,12-10+,16-14+,31-18+/t50-,51+/m1/s1

SMILES (Click to copy)

C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCCCCCC/C=C/C=C/C=C/C=C/CC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)(=O)O