In-Silico Structure database (LMISSD)
| |
LM ID | LMGP03029AQR |
---|---|
Common Name | PS(O-18:1(9Z)/17:1(9Z)) |
Systematic Name | 1-(9Z-octadecenyl)-2-(9Z-heptadecenoyl)-sn-glycero-3-phosphoserine |
Synonyms | PS(O-35:2); PS(O-18:1/17:1) |
Exact Mass | |
Formula | C41H78NO9P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoserines [GP03] |
Sub Class | 1-alkyl,2-acylglycerophosphoserines [GP0302] |
PubChem Compound ID (CID) | - |
InChIKey | KISJOYVPNSUKNA-WVEJCEDTSA-N |
InChI | InChI=1S/C41H78NO9P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-48-35-38(3 6-49-52(46,47)50-37-39(42)41(44)45)51-40(43)33-31-29-27-25-23-21-18-16-14-12-10- 8-6-4-2/h16-19,38-39H,3-15,20-37,42H2,1-2H3,(H,44,45)(H,46,47)/b18-16-,19-17-/t3 8-,39+/m1/s1 |
SMILES | C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCCCCCC/C=C\CCCCCCC)=O)COCCCCCCCC/C=C\CC CCCCCC)(=O)O |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |