In-Silico Structure database (LMISSD)
| |
LM ID | LMGP06019AQ4 |
---|---|
Common Name | PI(15:1(9Z)/18:2(6Z,9Z)) |
Systematic Name | 1-(9Z-pentadecenoyl)-2-(6Z,9Z-octadecadienoyl)-sn-glycero-3-phosphoinositol |
Synonyms | PI(33:3); PI(15:1_18:2) |
Exact Mass | |
Formula | C42H75O13P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoinositols [GP06] |
Sub Class | Diacylglycerophosphoinositols [GP0601] |
PubChem Compound ID (CID) | - |
InChIKey | HDIQDVGWZIDLOW-VCZLUWIOSA-N |
InChI | InChI=1S/C42H75O13P/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-36(44)54-34(3 2-52-35(43)30-28-26-24-22-20-16-14-12-10-8-6-4-2)33-53-56(50,51)55-42-40(48)38(4 6)37(45)39(47)41(42)49/h12,14,17-18,21,23,34,37-42,45-49H,3-11,13,15-16,19-20,22 ,24-33H2,1-2H3,(H,50,51)/b14-12-,18-17-,23-21-/t34-,37?,38-,39?,40?,41?,42-/m1/s 1 |
SMILES | [C@]([H])(OC(CCCC/C=C\C/C=C\CCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C 1O)COC(CCCCCCC/C=C\CCCCC)=O |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |