In-Silico Structure database (LMISSD)
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LM ID | LMGP06019DFC |
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Common Name | PI(20:4(7E,10E,13E,16E)/13:0) |
Systematic Name | 1-(7E,10E,13E,16E-eicosatetraenoyl)-2-tridecanoyl-sn-glycero-3-phosphoinositol |
Synonyms | PI(33:4); PI(13:0_20:4) |
Exact Mass | |
Formula | C42H73O13P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoinositols [GP06] |
Sub Class | Diacylglycerophosphoinositols [GP0601] |
PubChem Compound ID (CID) | - |
InChIKey | HCIQLYRRZIAUED-BLLPSDIZSA-N |
InChI | InChI=1S/C42H73O13P/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/h7,9,13,15,17-18,20-21,34,37-42,45-49H,3-6,8,10-12,14,16, 19,22-33H2,1-2H3,(H,50,51)/b9-7+,15-13+,18-17+,21-20+/t34-,37?,38-,39?,40?,41?,4 2-/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(CCCC C/C=C/C/C=C/C/C=C/C/C=C/CCC)=O |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |