In-Silico Structure database (LMISSD)
| |
LM ID | LMGP06019A8Y |
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Common Name | PI(18:1(11E)/13:0) |
Systematic Name | 1-(11E-octadecenoyl)-2-tridecanoyl-sn-glycero-3-phosphoinositol |
Synonyms | PI(31:1); PI(13:0_18:1) |
Exact Mass | |
Formula | C40H75O13P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoinositols [GP06] |
Sub Class | Diacylglycerophosphoinositols [GP0601] |
PubChem Compound ID (CID) | - |
InChIKey | JIWPUDBGBMQPIE-NILGWGBKSA-N |
InChI | InChI=1S/C40H75O13P/c1-3-5-7-9-11-13-15-16-17-18-19-21-22-24-26-28-33(41)50-30-3 2(52-34(42)29-27-25-23-20-14-12-10-8-6-4-2)31-51-54(48,49)53-40-38(46)36(44)35(4 3)37(45)39(40)47/h13,15,32,35-40,43-47H,3-12,14,16-31H2,1-2H3,(H,48,49)/b15-13+/ t32-,35?,36-,37?,38?,39?,40-/m1/s1 |
SMILES | [C@]([H])(OC(CCCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)COC(CCCC CCCCC/C=C/CCCCCC)=O |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |