In-Silico Structure database (LMISSD)
| |
LM ID | LMGP03039AF0 |
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Common Name | PS(P-16:1(9Z)/20:2(11Z,14Z)) |
Systematic Name | 1-(1Z,9Z-hexadecadienyl)-2-(11Z,14Z-eicosadienoyl)-sn-glycero-3-phosphoserine |
Synonyms | PS(P-36:3); PS(P-16:1/20:2) |
Exact Mass | |
Formula | C42H76NO9P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoserines [GP03] |
Sub Class | 1-(1Z-alkenyl),2-acylglycerophosphoserines [GP0303] |
PubChem Compound ID (CID) | - |
InChIKey | DFLMTRYHIGBUOL-JWGXSBBOSA-N |
InChI | InChI=1S/C42H76NO9P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-41(44)5 2-39(37-50-53(47,48)51-38-40(43)42(45)46)36-49-35-33-31-29-27-25-23-18-16-14-12- 10-8-6-4-2/h11,13-14,16-17,19,33,35,39-40H,3-10,12,15,18,20-32,34,36-38,43H2,1-2 H3,(H,45,46)(H,47,48)/b13-11-,16-14-,19-17-,35-33-/t39-,40+/m1/s1 |
SMILES | C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCCCCCCCC/C=C\C/C=C\CCCCC)=O)CO/C=C\CCCC CC/C=C\CCCCCC)(=O)O |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |