In-Silico Structure database (LMISSD)
| |
LM ID | LMGP06019ACT |
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Common Name | PI(11:0/16:0) |
Systematic Name | 1-undecanoyl-2-hexadecanoyl-sn-glycero-3-phosphoinositol |
Synonyms | PI(27:0); PI(11:0_16:0) |
Exact Mass | |
Formula | C36H69O13P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoinositols [GP06] |
Sub Class | Diacylglycerophosphoinositols [GP0601] |
PubChem Compound ID (CID) | - |
InChIKey | PSWDBXJFTHPQKX-MWLHZSNFSA-N |
InChI | InChI=1S/C36H69O13P/c1-3-5-7-9-11-13-14-15-16-17-19-21-23-25-30(38)48-28(26-46-2 9(37)24-22-20-18-12-10-8-6-4-2)27-47-50(44,45)49-36-34(42)32(40)31(39)33(41)35(3 6)43/h28,31-36,39-43H,3-27H2,1-2H3,(H,44,45)/t28-,31?,32-,33?,34?,35?,36-/m1/s1 |
SMILES | [C@]([H])(OC(CCCCCCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)COC(C CCCCCCCCC)=O |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |