In-Silico Structure database (LMISSD)
| |
LM ID | LMGP06029AAI |
---|---|
Common Name | PI(O-14:0/16:0) |
Systematic Name | 1-tetradecyl-2-hexadecanoyl-sn-glycero-3-phosphoinositol |
Synonyms | PI(O-30:0); PI(O-14:0/16:0) |
Exact Mass | |
Formula | C39H77O12P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoinositols [GP06] |
Sub Class | 1-alkyl,2-acylglycerophosphoinositols [GP0602] |
PubChem Compound ID (CID) | - |
InChIKey | ULQUMJVSFUHSEH-JPGPISLMSA-N |
InChI | InChI=1S/C39H77O12P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-33(40)50-32(30-48-2 9-27-25-23-21-19-16-14-12-10-8-6-4-2)31-49-52(46,47)51-39-37(44)35(42)34(41)36(4 3)38(39)45/h32,34-39,41-45H,3-31H2,1-2H3,(H,46,47)/t32-,34?,35-,36?,37?,38?,39-/ m1/s1 |
SMILES | [C@]([H])(OC(CCCCCCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)COCCC CCCCCCCCCCC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |