In-Silico Structure database (LMISSD)
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LM ID | LMGP03019AIG |
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Common Name | PS(13:0/20:4(5Z,8Z,10E,14Z)) |
Systematic Name | 1-tridecanoyl-2-(5Z,8Z,10E,14Z-eicosatetraenoyl)-sn-glycero-3-phosphoserine |
Synonyms | PS(33:4); PS(13:0_20:4) |
Exact Mass | |
Formula | C39H68NO10P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoserines [GP03] |
Sub Class | Diacylglycerophosphoserines [GP0301] |
PubChem Compound ID (CID) | - |
InChIKey | JZQACEFBJALUCY-ZBRBAFTKSA-N |
InChI | InChI=1S/C39H68NO10P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-23-25-27-29-31-38(42) 50-35(33-48-51(45,46)49-34-36(40)39(43)44)32-47-37(41)30-28-26-24-22-14-12-10-8- 6-4-2/h11,13,17-20,23,25,35-36H,3-10,12,14-16,21-22,24,26-34,40H2,1-2H3,(H,43,44 )(H,45,46)/b13-11-,18-17+,20-19-,25-23-/t35-,36+/m1/s1 |
SMILES | C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCC/C=C\C/C=C\C=C\CC/C=C\CCCCC)=O)COC(CC CCCCCCCCCC)=O)(=O)O |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |