In-Silico Structure database (LMISSD)
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LM ID | LMGP20049BZA |
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Common Name | PS(18:4(6Z,9Z,12Z,15Z)/2:0) |
Systematic Name | 1-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-2-acetyl-sn-glycero-3-phosphoserine |
Synonyms | PS(20:4); PS(18:4/2:0) |
Exact Mass | |
Formula | C26H42NO10P |
Category | Glycerophospholipids [GP] |
Main Class | Oxidized glycerophospholipids [GP20] |
Sub Class | Oxidized glycerophosphoserines [GP2004] |
PubChem Compound ID (CID) | - |
InChIKey | NWMKYTUKXQUUBG-GKABCHLTSA-N |
InChI | InChI=1S/C26H42NO10P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25(29)34-19-23( 37-22(2)28)20-35-38(32,33)36-21-24(27)26(30)31/h4-5,7-8,10-11,13-14,23-24H,3,6,9 ,12,15-21,27H2,1-2H3,(H,30,31)(H,32,33)/b5-4-,8-7-,11-10-,14-13-/t23-,24+/m1/s1 |
SMILES | C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(C)=O)COC(CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)= O)(=O)O |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |