In-Silico Structure database (LMISSD)
| |
LM ID | LMGP06019CY4 |
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Common Name | PI(20:3(5Z,8Z,11Z)/10:0) |
Systematic Name | 1-(5Z,8Z,11Z-eicosatrienoyl)-2-decanoyl-sn-glycero-3-phosphoinositol |
Synonyms | PI(30:3); PI(10:0_20:3) |
Exact Mass | |
Formula | C39H69O13P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoinositols [GP06] |
Sub Class | Diacylglycerophosphoinositols [GP0601] |
PubChem Compound ID (CID) | - |
InChIKey | TWKOXHOQSQFSID-BWEBSAMUSA-N |
InChI | InChI=1S/C39H69O13P/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-22-23-25-27-32(40)4 9-29-31(51-33(41)28-26-24-21-10-8-6-4-2)30-50-53(47,48)52-39-37(45)35(43)34(42)3 6(44)38(39)46/h14-15,17-18,20,22,31,34-39,42-46H,3-13,16,19,21,23-30H2,1-2H3,(H, 47,48)/b15-14-,18-17-,22-20-/t31-,34?,35-,36?,37?,38?,39-/m1/s1 |
SMILES | [C@]([H])(OC(CCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)COC(CCC/C=C \C/C=C\C/C=C\CCCCCCCC)=O |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |