In-Silico Structure database (LMISSD)
| |
LM ID | LMGP06029AAS |
---|---|
Common Name | PI(O-14:0/18:1(17Z)) |
Systematic Name | 1-tetradecyl-2-(13Z-octadecenoyl)-sn-glycero-3-phosphoinositol |
Synonyms | PI(O-32:1); PI(O-14:0/18:1) |
Exact Mass | |
Formula | C41H79O12P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoinositols [GP06] |
Sub Class | 1-alkyl,2-acylglycerophosphoinositols [GP0602] |
PubChem Compound ID (CID) | - |
InChIKey | RIOCYBWTJQFYDA-VDOCXDGISA-N |
InChI | InChI=1S/C41H79O12P/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-35(42)52-34(3 2-50-31-29-27-25-23-21-16-14-12-10-8-6-4-2)33-51-54(48,49)53-41-39(46)37(44)36(4 3)38(45)40(41)47/h3,34,36-41,43-47H,1,4-33H2,2H3,(H,48,49)/t34-,36?,37-,38?,39?, 40?,41-/m1/s1 |
SMILES | [C@]([H])(OC(CCCCCCCCCCCCCCCC=C)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)CO CCCCCCCCCCCCCC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |