In-Silico Structure database (LMISSD)
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LM ID | LMGP06019CEF |
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Common Name | PI(18:4(9E,11E,13E,15E)/12:0) |
Systematic Name | 1-(9E,11E,13E,15E-octadecatetraenoyl)-2-dodecanoyl-sn-glycero-3-phosphoinositol |
Synonyms | PI(30:4); PI(12:0_18:4) |
Exact Mass | |
Formula | C39H67O13P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoinositols [GP06] |
Sub Class | Diacylglycerophosphoinositols [GP0601] |
PubChem Compound ID (CID) | - |
InChIKey | YIEPYNTWUPYMQB-KBCAGWKNSA-N |
InChI | InChI=1S/C39H67O13P/c1-3-5-7-9-11-13-14-15-16-17-18-20-21-23-25-27-32(40)49-29-3 1(51-33(41)28-26-24-22-19-12-10-8-6-4-2)30-50-53(47,48)52-39-37(45)35(43)34(42)3 6(44)38(39)46/h5,7,9,11,13-16,31,34-39,42-46H,3-4,6,8,10,12,17-30H2,1-2H3,(H,47, 48)/b7-5+,11-9+,14-13+,16-15+/t31-,34?,35-,36?,37?,38?,39-/m1/s1 |
SMILES | [C@]([H])(OC(CCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)COC(CCCCC CC/C=C/C=C/C=C/C=C/CC)=O |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |