In-Silico Structure database (LMISSD)
| |
LM ID | LMGP06019AC4 |
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Common Name | PI(11:0/18:1(4E)) |
Systematic Name | 1-undecanoyl-2-(4E-octadecenoyl)-sn-glycero-3-phosphoinositol |
Synonyms | PI(29:1); PI(11:0_18:1) |
Exact Mass | |
Formula | C38H71O13P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoinositols [GP06] |
Sub Class | Diacylglycerophosphoinositols [GP0601] |
PubChem Compound ID (CID) | - |
InChIKey | NSWXRMSXUHSYAG-RZUWYRPHSA-N |
InChI | InChI=1S/C38H71O13P/c1-3-5-7-9-11-13-14-15-16-17-18-19-21-23-25-27-32(40)50-30(2 8-48-31(39)26-24-22-20-12-10-8-6-4-2)29-49-52(46,47)51-38-36(44)34(42)33(41)35(4 3)37(38)45/h21,23,30,33-38,41-45H,3-20,22,24-29H2,1-2H3,(H,46,47)/b23-21+/t30-,3 3?,34-,35?,36?,37?,38-/m1/s1 |
SMILES | [C@]([H])(OC(CC/C=C/CCCCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O) COC(CCCCCCCCCC)=O |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |