In-Silico Structure database (LMISSD)
| |
LM ID | LMGP06019CEK |
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Common Name | PI(18:4(9E,11E,13E,15E)/15:1(9Z)) |
Systematic Name | 1-(9E,11E,13E,15E-octadecatetraenoyl)-2-(9Z-pentadecenoyl)-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 | XHVQMOMLNABMCX-YOCUFRAUSA-N |
InChI | InChI=1S/C42H71O13P/c1-3-5-7-9-11-13-15-17-18-19-21-22-24-26-28-30-35(43)52-32-3 4(54-36(44)31-29-27-25-23-20-16-14-12-10-8-6-4-2)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\CCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)COC (CCCCCCC/C=C/C=C/C=C/C=C/CC)=O |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |