In-Silico Structure database (LMISSD)
| |
LM ID | LMGP06039DDK |
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Common Name | PI(P-14:0/14:1(9Z)) |
Systematic Name | 1-(1Z-tetradecenyl)-2-(9Z-tetradecenoyl)-sn-glycero-3-phosphoinositol |
Synonyms | PI(P-28:1); PI(P-14:0/14:1) |
Exact Mass | |
Formula | C37H69O12P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoinositols [GP06] |
Sub Class | 1-(1Z-alkenyl),2-acylglycerophosphoinositols [GP0603] |
PubChem Compound ID (CID) | - |
InChIKey | KFIIKMRYQBRUDF-IBMTXHLSSA-N |
InChI | InChI=1S/C37H69O12P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-46-28-30(48-31(38)26-2 4-22-20-18-16-14-12-10-8-6-4-2)29-47-50(44,45)49-37-35(42)33(40)32(39)34(41)36(3 7)43/h10,12,25,27,30,32-37,39-43H,3-9,11,13-24,26,28-29H2,1-2H3,(H,44,45)/b12-10 -,27-25-/t30-,32?,33-,34?,35?,36?,37-/m1/s1 |
SMILES | [C@]([H])(OC(CCCCCCC/C=C\CCCC)=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) |