In-Silico Structure database (LMISSD)
| |
LM ID | LMGP03039AMQ |
---|---|
Common Name | PS(P-18:1(9Z)/18:4(9E,11E,13E,15E)) |
Systematic Name | 1-(1Z,9Z-octadecadienyl)-2-(9E,11E,13E,15E-octadecatetraenoyl)-sn-glycero-3- phosphoserine |
Synonyms | PS(P-36:5); PS(P-18:1/18:4) |
Exact Mass | |
Formula | C42H72NO9P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoserines [GP03] |
Sub Class | 1-(1Z-alkenyl),2-acylglycerophosphoserines [GP0303] |
PubChem Compound ID (CID) | - |
InChIKey | XWHJUEUNLIFXLR-DVDBGNRZSA-N |
InChI | InChI=1S/C42H72NO9P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-49-36-39(3 7-50-53(47,48)51-38-40(43)42(45)46)52-41(44)34-32-30-28-26-24-22-20-18-16-14-12- 10-8-6-4-2/h6,8,10,12,14,16-20,33,35,39-40H,3-5,7,9,11,13,15,21-32,34,36-38,43H2 ,1-2H3,(H,45,46)(H,47,48)/b8-6+,12-10+,16-14+,19-17-,20-18+,35-33-/t39-,40+/m1/s 1 |
SMILES | C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCCCCCC/C=C/C=C/C=C/C=C/CC)=O)CO/C=C\CCC CCC/C=C\CCCCCCCC)(=O)O |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |