In-Silico Structure database (LMISSD)
| |
LM ID | LMGP06019ABN |
---|---|
Common Name | PI(10:0/20:4(7E,10E,13E,16E)) |
Systematic Name | 1-decanoyl-2-(7E,10E,13E,16E-eicosatetraenoyl)-sn-glycero-3-phosphoinositol |
Synonyms | PI(30:4); PI(10:0_20:4) |
Exact Mass | |
Formula | C39H67O13P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoinositols [GP06] |
Sub Class | Diacylglycerophosphoinositols [GP0601] |
PubChem Compound ID (CID) | - |
InChIKey | LUWJQUIWIRVXNH-OWTWITTGSA-N |
InChI | InChI=1S/C39H67O13P/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-22-24-26-28-33(41)5 1-31(29-49-32(40)27-25-23-21-10-8-6-4-2)30-50-53(47,48)52-39-37(45)35(43)34(42)3 6(44)38(39)46/h7,9,12-13,15-16,18-19,31,34-39,42-46H,3-6,8,10-11,14,17,20-30H2,1 -2H3,(H,47,48)/b9-7+,13-12+,16-15+,19-18+/t31-,34?,35-,36?,37?,38?,39-/m1/s1 |
SMILES | [C@]([H])(OC(CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C (O)C(O)C1O)COC(CCCCCCCCC)=O |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |