In-Silico Structure database (LMISSD)
| |
LM ID | LMGP06039DEF |
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Common Name | PI(P-14:0/20:1(11E)) |
Systematic Name | 1-(1Z-tetradecenyl)-2-(11E-eicosenoyl)-sn-glycero-3-phosphoinositol |
Synonyms | PI(P-34:1); PI(P-14:0/20:1) |
Exact Mass | |
Formula | C43H81O12P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoinositols [GP06] |
Sub Class | 1-(1Z-alkenyl),2-acylglycerophosphoinositols [GP0603] |
PubChem Compound ID (CID) | - |
InChIKey | BYFHNUFYBURGJI-GDVHHFCVSA-N |
InChI | InChI=1S/C43H81O12P/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/h17-18,31,33,36,38-43,45-49H,3-16,19-30,32,34-35H2,1-2H3, (H,50,51)/b18-17+,33-31-/t36-,38?,39-,40?,41?,42?,43-/m1/s1 |
SMILES | [C@]([H])(OC(CCCCCCCCC/C=C/CCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1 O)CO/C=C\CCCCCCCCCCCC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |