In-Silico Structure database (LMISSD)
| |
LM ID | LMGP06019AAR |
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Common Name | PI(10:0/18:1(13Z)) |
Systematic Name | 1-decanoyl-2-(13Z-octadecenoyl)-sn-glycero-3-phosphoinositol |
Synonyms | PI(28:1); PI(10:0_18:1) |
Exact Mass | |
Formula | C37H69O13P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoinositols [GP06] |
Sub Class | Diacylglycerophosphoinositols [GP0601] |
PubChem Compound ID (CID) | - |
InChIKey | PFGLJWBIOWABBE-LHCJQQTESA-N |
InChI | InChI=1S/C37H69O13P/c1-3-5-7-9-11-12-13-14-15-16-17-18-20-22-24-26-31(39)49-29(2 7-47-30(38)25-23-21-19-10-8-6-4-2)28-48-51(45,46)50-37-35(43)33(41)32(40)34(42)3 6(37)44/h9,11,29,32-37,40-44H,3-8,10,12-28H2,1-2H3,(H,45,46)/b11-9-/t29-,32?,33- ,34?,35?,36?,37-/m1/s1 |
SMILES | [C@]([H])(OC(CCCCCCCCCCC/C=C\CCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O) COC(CCCCCCCCC)=O |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |