In-Silico Structure database (LMISSD)
| |
LM ID | LMGP06029AQF |
---|---|
Common Name | PI(O-18:1(9Z)/10:0) |
Systematic Name | 1-(9Z-octadecenyl)-2-decanoyl-sn-glycero-3-phosphoinositol |
Synonyms | PI(O-28:1); PI(O-18:1/10:0) |
Exact Mass | |
Formula | C37H71O12P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoinositols [GP06] |
Sub Class | 1-alkyl,2-acylglycerophosphoinositols [GP0602] |
PubChem Compound ID (CID) | - |
InChIKey | QFWOCGURATZWRT-UCCRMMDDSA-N |
InChI | InChI=1S/C37H71O12P/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-21-23-25-27-46-28-30(4 8-31(38)26-24-22-20-10-8-6-4-2)29-47-50(44,45)49-37-35(42)33(40)32(39)34(41)36(3 7)43/h14-15,30,32-37,39-43H,3-13,16-29H2,1-2H3,(H,44,45)/b15-14-/t30-,32?,33-,34 ?,35?,36?,37-/m1/s1 |
SMILES | [C@]([H])(OC(CCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)COCCCCCCCC/ C=C\CCCCCCCC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |