In-Silico Structure database (LMISSD)
| |
LM ID | LMGP06019AQ6 |
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Common Name | PI(15:1(9Z)/18:2(9E,12E)) |
Systematic Name | 1-(9Z-pentadecenoyl)-2-(9E,12E-octadecadienoyl)-sn-glycero-3-phosphoinositol |
Synonyms | PI(33:3); PI(15:1_18:2) |
Exact Mass | |
Formula | C42H75O13P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoinositols [GP06] |
Sub Class | Diacylglycerophosphoinositols [GP0601] |
PubChem Compound ID (CID) | - |
InChIKey | NMZZJJWVCGCQBH-RFOUOXCGSA-N |
InChI | InChI=1S/C42H75O13P/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/h11-14,17-18,34,37-42,45-49H,3-10,15-16,19-33H2,1-2H3,(H, 50,51)/b13-11+,14-12-,18-17+/t34-,37?,38-,39?,40?,41?,42-/m1/s1 |
SMILES | [C@]([H])(OC(CCCCCCC/C=C/C/C=C/CCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C 1O)COC(CCCCCCC/C=C\CCCCC)=O |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |