In-Silico Structure database (LMISSD)
| |
LM ID | LMGP06029ABD |
---|---|
Common Name | PI(O-14:0/20:1(13Z)) |
Systematic Name | 1-tetradecyl-2-(13Z-eicosenoyl)-sn-glycero-3-phosphoinositol |
Synonyms | PI(O-34:1); PI(O-14:0/20:1) |
Exact Mass | |
Formula | C43H83O12P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoinositols [GP06] |
Sub Class | 1-alkyl,2-acylglycerophosphoinositols [GP0602] |
PubChem Compound ID (CID) | - |
InChIKey | ZADYVHXLNHKAHF-BHWXPKGCSA-N |
InChI | InChI=1S/C43H83O12P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-37(44)5 4-36(34-52-33-31-29-27-25-23-16-14-12-10-8-6-4-2)35-53-56(50,51)55-43-41(48)39(4 6)38(45)40(47)42(43)49/h13,15,36,38-43,45-49H,3-12,14,16-35H2,1-2H3,(H,50,51)/b1 5-13-/t36-,38?,39-,40?,41?,42?,43-/m1/s1 |
SMILES | [C@]([H])(OC(CCCCCCCCCCC/C=C\CCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1 O)COCCCCCCCCCCCCCC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |