In-Silico Structure database (LMISSD)
| |
LM ID | LMGP06019A4I |
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Common Name | PI(17:2(9Z,12Z)/16:1(7Z)) |
Systematic Name | 1-(9Z,12Z-heptadecadienoyl)-2-(7Z-hexadecenoyl)-sn-glycero-3-phosphoinositol |
Synonyms | PI(33:3); PI(16:1_17:2) |
Exact Mass | |
Formula | C42H75O13P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoinositols [GP06] |
Sub Class | Diacylglycerophosphoinositols [GP0601] |
PubChem Compound ID (CID) | - |
InChIKey | FNBBSVYZKVCMGX-LHZDJYISSA-N |
InChI | InChI=1S/C42H75O13P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-35(43)52-32-34(3 3-53-56(50,51)55-42-40(48)38(46)37(45)39(47)41(42)49)54-36(44)31-29-27-25-23-21- 18-16-14-12-10-8-6-4-2/h9,11,15,17-18,21,34,37-42,45-49H,3-8,10,12-14,16,19-20,2 2-33H2,1-2H3,(H,50,51)/b11-9-,17-15-,21-18-/t34-,37?,38-,39?,40?,41?,42-/m1/s1 |
SMILES | [C@]([H])(OC(CCCCC/C=C\CCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)CO C(CCCCCCC/C=C\C/C=C\CCCC)=O |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |