In-Silico Structure database (LMISSD)
| |
LM ID | LMGP06029AJJ |
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Common Name | PI(O-16:1(9Z)/11:0) |
Systematic Name | 1-(9Z-hexadecenyl)-2-undecanoyl-sn-glycero-3-phosphoinositol |
Synonyms | PI(O-27:1); PI(O-16:1/11:0) |
Exact Mass | |
Formula | C36H69O12P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoinositols [GP06] |
Sub Class | 1-alkyl,2-acylglycerophosphoinositols [GP0602] |
PubChem Compound ID (CID) | - |
InChIKey | LFBKNDZGVKZGTC-VOTACIITSA-N |
InChI | InChI=1S/C36H69O12P/c1-3-5-7-9-11-13-14-15-16-17-18-20-22-24-26-45-27-29(47-30(3 7)25-23-21-19-12-10-8-6-4-2)28-46-49(43,44)48-36-34(41)32(39)31(38)33(40)35(36)4 2/h13-14,29,31-36,38-42H,3-12,15-28H2,1-2H3,(H,43,44)/b14-13-/t29-,31?,32-,33?,3 4?,35?,36-/m1/s1 |
SMILES | [C@]([H])(OC(CCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)COCCCCCCCC /C=C\CCCCCC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |