In-Silico Structure database (LMISSD)
| |
LM ID | LMGP06019ARC |
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Common Name | PI(15:1(9Z)/18:4(9E,11E,13E,15E)) |
Systematic Name | 1-(9Z-pentadecenoyl)-2-(9E,11E,13E,15E-octadecatetraenoyl)-sn-glycero-3- phosphoinositol |
Synonyms | PI(33:5); PI(15:1_18:4) |
Exact Mass | |
Formula | C42H71O13P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoinositols [GP06] |
Sub Class | Diacylglycerophosphoinositols [GP0601] |
PubChem Compound ID (CID) | - |
InChIKey | YKJYKYSJPANZET-YOCUFRAUSA-N |
InChI | InChI=1S/C42H71O13P/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-36(44)54-34(3 2-52-35(43)30-28-26-24-22-20-16-14-12-10-8-6-4-2)33-53-56(50,51)55-42-40(48)38(4 6)37(45)39(47)41(42)49/h5,7,9,11-15,17-18,34,37-42,45-49H,3-4,6,8,10,16,19-33H2, 1-2H3,(H,50,51)/b7-5+,11-9+,14-12-,15-13+,18-17+/t34-,37?,38-,39?,40?,41?,42-/m1 /s1 |
SMILES | [C@]([H])(OC(CCCCCCC/C=C/C=C/C=C/C=C/CC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C( O)C1O)COC(CCCCCCC/C=C\CCCCC)=O |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |