In-Silico Structure database (LMISSD)
| |
LM ID | LMGP06019AID |
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Common Name | PI(13:0/20:3(5Z,8Z,11Z)) |
Systematic Name | 1-tridecanoyl-2-(5Z,8Z,11Z-eicosatrienoyl)-sn-glycero-3-phosphoinositol |
Synonyms | PI(33:3); PI(13:0_20:3) |
Exact Mass | |
Formula | C42H75O13P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoinositols [GP06] |
Sub Class | Diacylglycerophosphoinositols [GP0601] |
PubChem Compound ID (CID) | - |
InChIKey | VFLGBMQWOFTUAQ-LVEKGIBZSA-N |
InChI | InChI=1S/C42H75O13P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-23-25-27-29-31-36(44)5 4-34(32-52-35(43)30-28-26-24-22-14-12-10-8-6-4-2)33-53-56(50,51)55-42-40(48)38(4 6)37(45)39(47)41(42)49/h16-17,19-20,23,25,34,37-42,45-49H,3-15,18,21-22,24,26-33 H2,1-2H3,(H,50,51)/b17-16-,20-19-,25-23-/t34-,37?,38-,39?,40?,41?,42-/m1/s1 |
SMILES | [C@]([H])(OC(CCC/C=C\C/C=C\C/C=C\CCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O) C(O)C1O)COC(CCCCCCCCCCCC)=O |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |