In-Silico Structure database (LMISSD)
| |
LM ID | LMGP06019AFN |
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Common Name | PI(12:0/18:2(9E,12E)) |
Systematic Name | 1-dodecanoyl-2-(9E,12E-octadecadienoyl)-sn-glycero-3-phosphoinositol |
Synonyms | PI(30:2); PI(12:0_18:2) |
Exact Mass | |
Formula | C39H71O13P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoinositols [GP06] |
Sub Class | Diacylglycerophosphoinositols [GP0601] |
PubChem Compound ID (CID) | - |
InChIKey | HZLKVGRNNQDKES-PCESMGOQSA-N |
InChI | InChI=1S/C39H71O13P/c1-3-5-7-9-11-13-14-15-16-17-18-20-22-24-26-28-33(41)51-31(2 9-49-32(40)27-25-23-21-19-12-10-8-6-4-2)30-50-53(47,48)52-39-37(45)35(43)34(42)3 6(44)38(39)46/h11,13,15-16,31,34-39,42-46H,3-10,12,14,17-30H2,1-2H3,(H,47,48)/b1 3-11+,16-15+/t31-,34?,35-,36?,37?,38?,39-/m1/s1 |
SMILES | [C@]([H])(OC(CCCCCCC/C=C/C/C=C/CCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C 1O)COC(CCCCCCCCCCC)=O |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |