In-Silico Structure database (LMISSD)
| |
LM ID | LMGP06039DD5 |
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Common Name | PI(P-14:0/18:2(9E,11E)) |
Systematic Name | 1-(1Z-tetradecenyl)-2-(9E,11E-octadecadienoyl)-sn-glycero-3-phosphoinositol |
Synonyms | PI(P-32:2); PI(P-14:0/18:2) |
Exact Mass | |
Formula | C41H75O12P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoinositols [GP06] |
Sub Class | 1-(1Z-alkenyl),2-acylglycerophosphoinositols [GP0603] |
PubChem Compound ID (CID) | - |
InChIKey | FNXZCCFABJTUIK-NZRJMQMYSA-N |
InChI | InChI=1S/C41H75O12P/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/h13,15,17-18,29,31,34,36-41,43-47H,3-12,14,16,19-28,30,32-33H2, 1-2H3,(H,48,49)/b15-13+,18-17+,31-29-/t34-,36?,37-,38?,39?,40?,41-/m1/s1 |
SMILES | [C@]([H])(OC(CCCCCCC/C=C/C=C/CCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1 O)CO/C=C\CCCCCCCCCCCC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |