In-Silico Structure database (LMISSD)
| |
LM ID | LMGP06019AXL |
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Common Name | PI(16:1(9Z)/16:1(7Z)) |
Systematic Name | 1-(9Z-hexadecenoyl)-2-(7Z-hexadecenoyl)-sn-glycero-3-phosphoinositol |
Synonyms | PI(32:2); PI(16:1_16:1) |
Exact Mass | |
Formula | C41H75O13P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoinositols [GP06] |
Sub Class | Diacylglycerophosphoinositols [GP0601] |
PubChem Compound ID (CID) | - |
InChIKey | BTOOUKXQAADFEJ-BQJXBNAZSA-N |
InChI | InChI=1S/C41H75O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(42)51-31-33(32-5 2-55(49,50)54-41-39(47)37(45)36(44)38(46)40(41)48)53-35(43)30-28-26-24-22-20-18- 16-14-12-10-8-6-4-2/h13,15,18,20,33,36-41,44-48H,3-12,14,16-17,19,21-32H2,1-2H3, (H,49,50)/b15-13-,20-18-/t33-,36?,37-,38?,39?,40?,41-/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\CCCCCC)=O |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |