In-Silico Structure database (LMISSD)
| |
LM ID | LMGP06019CY7 |
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Common Name | PI(20:3(5Z,8Z,11Z)/13:0) |
Systematic Name | 1-(5Z,8Z,11Z-eicosatrienoyl)-2-tridecanoyl-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 | CZKMLVWUNAPAFO-AWOGZNBJSA-N |
InChI | InChI=1S/C42H75O13P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-23-24-26-28-30-35(43)5 2-32-34(54-36(44)31-29-27-25-22-14-12-10-8-6-4-2)33-53-56(50,51)55-42-40(48)38(4 6)37(45)39(47)41(42)49/h16-17,19-20,23-24,34,37-42,45-49H,3-15,18,21-22,25-33H2, 1-2H3,(H,50,51)/b17-16-,20-19-,24-23-/t34-,37?,38-,39?,40?,41?,42-/m1/s1 |
SMILES | [C@]([H])(OC(CCCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)COC(CCC/ C=C\C/C=C\C/C=C\CCCCCCCC)=O |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |