In-Silico Structure database (LMISSD)
| |
LM ID | LMGP06039DEA |
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Common Name | PI(P-14:0/18:3(9Z,12Z,15Z)) |
Systematic Name | 1-(1Z-tetradecenyl)-2-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycero-3- phosphoinositol |
Synonyms | PI(P-32:3); PI(P-14:0/18:3) |
Exact Mass | |
Formula | C41H73O12P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoinositols [GP06] |
Sub Class | 1-(1Z-alkenyl),2-acylglycerophosphoinositols [GP0603] |
PubChem Compound ID (CID) | - |
InChIKey | ZCMBGZHNJFTQAY-YENXAHDSSA-N |
InChI | InChI=1S/C41H73O12P/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/h5,7,11,13,17-18,29,31,34,36-41,43-47H,3-4,6,8-10,12,14-16,19-2 8,30,32-33H2,1-2H3,(H,48,49)/b7-5-,13-11-,18-17-,31-29-/t34-,36?,37-,38?,39?,40? ,41-/m1/s1 |
SMILES | [C@]([H])(OC(CCCCCCC/C=C\C/C=C\C/C=C\CC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C( O)C1O)CO/C=C\CCCCCCCCCCCC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |