In-Silico Structure database (LMISSD)
| |
LM ID | LMGP06029AHG |
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Common Name | PI(O-16:1(11Z)/16:1(7Z)) |
Systematic Name | 1-(11Z-hexadecenyl)-2-(7Z-hexadecenoyl)-sn-glycero-3-phosphoinositol |
Synonyms | PI(O-32:2); PI(O-16:1/16:1) |
Exact Mass | |
Formula | C41H77O12P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoinositols [GP06] |
Sub Class | 1-alkyl,2-acylglycerophosphoinositols [GP0602] |
PubChem Compound ID (CID) | - |
InChIKey | LIEVPQIRZGAERX-OQGLTMQYSA-N |
InChI | InChI=1S/C41H77O12P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-50-32-34(33-51-5 4(48,49)53-41-39(46)37(44)36(43)38(45)40(41)47)52-35(42)30-28-26-24-22-20-18-16- 14-12-10-8-6-4-2/h9,11,18,20,34,36-41,43-47H,3-8,10,12-17,19,21-33H2,1-2H3,(H,48 ,49)/b11-9-,20-18-/t34-,36?,37-,38?,39?,40?,41-/m1/s1 |
SMILES | [C@]([H])(OC(CCCCC/C=C\CCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)CO CCCCCCCCCC/C=C\CCCC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |