In-Silico Structure database (LMISSD)
| |
LM ID | LMGP03019AC0 |
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Common Name | PS(11:0/18:1(11E)) |
Systematic Name | 1-undecanoyl-2-(11E-octadecenoyl)-sn-glycero-3-phosphoserine |
Synonyms | PS(29:1); PS(11:0_18:1) |
Exact Mass | |
Formula | C35H66NO10P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoserines [GP03] |
Sub Class | Diacylglycerophosphoserines [GP0301] |
PubChem Compound ID (CID) | - |
InChIKey | IAOSQIWXSUHHPN-KBSDJJJVSA-N |
InChI | InChI=1S/C35H66NO10P/c1-3-5-7-9-11-13-14-15-16-17-18-19-21-23-25-27-34(38)46-31( 29-44-47(41,42)45-30-32(36)35(39)40)28-43-33(37)26-24-22-20-12-10-8-6-4-2/h13-14 ,31-32H,3-12,15-30,36H2,1-2H3,(H,39,40)(H,41,42)/b14-13+/t31-,32+/m1/s1 |
SMILES | C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCCCCCCCC/C=C/CCCCCC)=O)COC(CCCCCCCCCC)= O)(=O)O |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |