In-Silico Structure database (LMISSD)
| |
LM ID | LMGP06019BYC |
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Common Name | PI(18:2(9E,11E)/14:0) |
Systematic Name | 1-(9E,11E-octadecadienoyl)-2-tetradecanoyl-sn-glycero-3-phosphoinositol |
Synonyms | PI(32:2); PI(14:0_18:2) |
Exact Mass | |
Formula | C41H75O13P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoinositols [GP06] |
Sub Class | Diacylglycerophosphoinositols [GP0601] |
PubChem Compound ID (CID) | - |
InChIKey | AXRKQMCSCDMBDS-HGTNWJMXSA-N |
InChI | InChI=1S/C41H75O13P/c1-3-5-7-9-11-13-15-16-17-18-20-21-23-25-27-29-34(42)51-31-3 3(53-35(43)30-28-26-24-22-19-14-12-10-8-6-4-2)32-52-55(49,50)54-41-39(47)37(45)3 6(44)38(46)40(41)48/h13,15-17,33,36-41,44-48H,3-12,14,18-32H2,1-2H3,(H,49,50)/b1 5-13+,17-16+/t33-,36?,37-,38?,39?,40?,41-/m1/s1 |
SMILES | [C@]([H])(OC(CCCCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)COC(CCC CCCC/C=C/C=C/CCCCCC)=O |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |