In-Silico Structure database (LMISSD)
| |
LM ID | LMGP06029AAF |
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Common Name | PI(O-14:0/14:1(9Z)) |
Systematic Name | 1-tetradecyl-2-(9Z-tetradecenoyl)-sn-glycero-3-phosphoinositol |
Synonyms | PI(O-28:1); PI(O-14:0/14:1) |
Exact Mass | |
Formula | C37H71O12P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoinositols [GP06] |
Sub Class | 1-alkyl,2-acylglycerophosphoinositols [GP0602] |
PubChem Compound ID (CID) | - |
InChIKey | CMLBSXBLWKAJBI-DBYUQKOWSA-N |
InChI | InChI=1S/C37H71O12P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-46-28-30(48-31(38)26-2 4-22-20-18-16-14-12-10-8-6-4-2)29-47-50(44,45)49-37-35(42)33(40)32(39)34(41)36(3 7)43/h10,12,30,32-37,39-43H,3-9,11,13-29H2,1-2H3,(H,44,45)/b12-10-/t30-,32?,33-, 34?,35?,36?,37-/m1/s1 |
SMILES | [C@]([H])(OC(CCCCCCC/C=C\CCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)COCC CCCCCCCCCCCC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |