In-Silico Structure database (LMISSD)
| |
LM ID | LMGP20059ENM |
---|---|
Common Name | PI(O-14:0/2:0) |
Systematic Name | 1-tetradecyl-2-acetyl-sn-glycero-3-phosphoinositol |
Synonyms | PI(O-16:0); PI(O-14:0/2:0) |
Exact Mass | |
Formula | C25H49O12P |
Category | Glycerophospholipids [GP] |
Main Class | Oxidized glycerophospholipids [GP20] |
Sub Class | Oxidized glycerophosphoinositols [GP2005] |
PubChem Compound ID (CID) | - |
InChIKey | HCFKVKBCQTUTAG-FRXBKMHMSA-N |
InChI | InChI=1S/C25H49O12P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-34-16-19(36-18(2)26)17-35 -38(32,33)37-25-23(30)21(28)20(27)22(29)24(25)31/h19-25,27-31H,3-17H2,1-2H3,(H,3 2,33)/t19-,20?,21-,22?,23?,24?,25-/m1/s1 |
SMILES | [C@]([H])(OC(C)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)COCCCCCCCCCCCCCC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |