In-Silico Structure database (LMISSD)
| |
LM ID | LMGP06029AXJ |
---|---|
Common Name | PI(O-20:1(9Z)/15:1(9Z)) |
Systematic Name | 1-(9Z-eicosenyl)-2-(9Z-pentadecenoyl)-sn-glycero-3-phosphoinositol |
Synonyms | PI(O-35:2); PI(O-20:1/15:1) |
Exact Mass | |
Formula | C44H83O12P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoinositols [GP06] |
Sub Class | 1-alkyl,2-acylglycerophosphoinositols [GP0602] |
PubChem Compound ID (CID) | - |
InChIKey | VQIPNQOHCFBROD-SWKHSHFUSA-N |
InChI | InChI=1S/C44H83O12P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-53-3 5-37(55-38(45)33-31-29-27-25-23-16-14-12-10-8-6-4-2)36-54-57(51,52)56-44-42(49)4 0(47)39(46)41(48)43(44)50/h12,14,19-20,37,39-44,46-50H,3-11,13,15-18,21-36H2,1-2 H3,(H,51,52)/b14-12-,20-19-/t37-,39?,40-,41?,42?,43?,44-/m1/s1 |
SMILES | [C@]([H])(OC(CCCCCCC/C=C\CCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)COC CCCCCCC/C=C\CCCCCCCCCC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |