In-Silico Structure database (LMISSD)
| |
LM ID | LMGP06029APB |
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Common Name | PI(O-18:1(11Z)/20:3(8Z,11Z,14Z)) |
Systematic Name | 1-(11Z-octadecenyl)-2-(8Z,11Z,14Z-eicosatrienoyl)-sn-glycero-3-phosphoinositol |
Synonyms | PI(O-38:4); PI(O-18:1/20:3) |
Exact Mass | |
Formula | C47H85O12P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoinositols [GP06] |
Sub Class | 1-alkyl,2-acylglycerophosphoinositols [GP0602] |
PubChem Compound ID (CID) | - |
InChIKey | SODZTWRUTRFQKD-YCAJMNOFSA-N |
InChI | InChI=1S/C47H85O12P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-41(48)5 8-40(39-57-60(54,55)59-47-45(52)43(50)42(49)44(51)46(47)53)38-56-37-35-33-31-29- 27-25-23-20-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,22,24,40,42-47,49-53H,3-10 ,12,15,18,20-21,23,25-39H2,1-2H3,(H,54,55)/b13-11-,16-14-,19-17-,24-22-/t40-,42? ,43-,44?,45?,46?,47-/m1/s1 |
SMILES | [C@]([H])(OC(CCCCCC/C=C\C/C=C\C/C=C\CCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O) C(O)C1O)COCCCCCCCCCC/C=C\CCCCCC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |