In-Silico Structure database (LMISSD)
| |
LM ID | LMGP03019A8X |
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Common Name | PS(18:1(11E)/12:0) |
Systematic Name | 1-(11E-octadecenoyl)-2-dodecanoyl-sn-glycero-3-phosphoserine |
Synonyms | PS(30:1); PS(12:0_18:1) |
Exact Mass | |
Formula | C36H68NO10P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoserines [GP03] |
Sub Class | Diacylglycerophosphoserines [GP0301] |
PubChem Compound ID (CID) | - |
InChIKey | RXZIHSDEGNNATK-QIBGPCCMSA-N |
InChI | InChI=1S/C36H68NO10P/c1-3-5-7-9-11-13-14-15-16-17-18-20-21-23-25-27-34(38)44-29- 32(30-45-48(42,43)46-31-33(37)36(40)41)47-35(39)28-26-24-22-19-12-10-8-6-4-2/h13 -14,32-33H,3-12,15-31,37H2,1-2H3,(H,40,41)(H,42,43)/b14-13+/t32-,33+/m1/s1 |
SMILES | C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCCCCCCCCCC)=O)COC(CCCCCCCCC/C=C/CCCCCC) =O)(=O)O |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |