In-Silico Structure database (LMISSD)
| |
LM ID | LMGP03019CLC |
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Common Name | PS(20:1(11E)/12:0) |
Systematic Name | 1-(11E-eicosenoyl)-2-dodecanoyl-sn-glycero-3-phosphoserine |
Synonyms | PS(32:1); PS(12:0_20:1) |
Exact Mass | |
Formula | C38H72NO10P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoserines [GP03] |
Sub Class | Diacylglycerophosphoserines [GP0301] |
PubChem Compound ID (CID) | - |
InChIKey | SCXFMEMRLVDWLC-XEQBSKEBSA-N |
InChI | InChI=1S/C38H72NO10P/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-22-23-25-27-29-36(40) 46-31-34(32-47-50(44,45)48-33-35(39)38(42)43)49-37(41)30-28-26-24-21-12-10-8-6-4 -2/h15-16,34-35H,3-14,17-33,39H2,1-2H3,(H,42,43)(H,44,45)/b16-15+/t34-,35+/m1/s1 |
SMILES | C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCCCCCCCCCC)=O)COC(CCCCCCCCC/C=C/CCCCCCC C)=O)(=O)O |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |