In-Silico Structure database (LMISSD)
| |
LM ID | LMGP03019AGI |
---|---|
Common Name | PS(12:0/22:6(4Z,7Z,10Z,12E,16Z,19Z)) |
Systematic Name | 1-dodecanoyl-2-(4Z,7Z,10Z,12E,16Z,19Z-docosahexaenoyl)-sn-glycero-3- phosphoserine |
Synonyms | PS(34:6); PS(12:0_22:6) |
Exact Mass | |
Formula | C40H66NO10P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoserines [GP03] |
Sub Class | Diacylglycerophosphoserines [GP0301] |
PubChem Compound ID (CID) | - |
InChIKey | TZGLMRNIDXZLKV-HYUYIIFDSA-N |
InChI | InChI=1S/C40H66NO10P/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-24-26-28-30-32- 39(43)51-36(34-49-52(46,47)50-35-37(41)40(44)45)33-48-38(42)31-29-27-25-23-12-10 -8-6-4-2/h5,7,11,13,16-19,21-22,26,28,36-37H,3-4,6,8-10,12,14-15,20,23-25,27,29- 35,41H2,1-2H3,(H,44,45)(H,46,47)/b7-5-,13-11-,17-16+,19-18-,22-21-,28-26-/t36-,3 7+/m1/s1 |
SMILES | C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CC/C=C\C/C=C\C/C=C\C=C\CC/C=C\C/C=C\CC)= O)COC(CCCCCCCCCCC)=O)(=O)O |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |