In-Silico Structure database (LMISSD)
| |
LM ID | LMGP06019BVX |
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Common Name | PI(18:2(6Z,9Z)/10:0) |
Systematic Name | 1-(6Z,9Z-octadecadienoyl)-2-decanoyl-sn-glycero-3-phosphoinositol |
Synonyms | PI(28:2); PI(10:0_18:2) |
Exact Mass | |
Formula | C37H67O13P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoinositols [GP06] |
Sub Class | Diacylglycerophosphoinositols [GP0601] |
PubChem Compound ID (CID) | - |
InChIKey | WHRWBCIONWTQTQ-LWGUEYMFSA-N |
InChI | InChI=1S/C37H67O13P/c1-3-5-7-9-11-12-13-14-15-16-17-18-20-21-23-25-30(38)47-27-2 9(49-31(39)26-24-22-19-10-8-6-4-2)28-48-51(45,46)50-37-35(43)33(41)32(40)34(42)3 6(37)44/h14-15,17-18,29,32-37,40-44H,3-13,16,19-28H2,1-2H3,(H,45,46)/b15-14-,18- 17-/t29-,32?,33-,34?,35?,36?,37-/m1/s1 |
SMILES | [C@]([H])(OC(CCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)COC(CCCC/C= C\C/C=C\CCCCCCCC)=O |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |