In-Silico Structure database (LMISSD)
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LM ID | LMGP06029ABW |
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Common Name | PI(O-14:0/22:6(4Z,7Z,10Z,12E,16Z,19Z)) |
Systematic Name | 1-tetradecyl-2-(4Z,7Z,10Z,12E,16Z,19Z-docosahexaenoyl)-sn-glycero-3- phosphoinositol |
Synonyms | PI(O-36:6); PI(O-14:0/22:6) |
Exact Mass | |
Formula | C45H77O12P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoinositols [GP06] |
Sub Class | 1-alkyl,2-acylglycerophosphoinositols [GP0602] |
PubChem Compound ID (CID) | - |
InChIKey | INOOCEHVRABUOV-XDJNNRLGSA-N |
InChI | InChI=1S/C45H77O12P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-3 9(46)56-38(36-54-35-33-31-29-27-25-16-14-12-10-8-6-4-2)37-55-58(52,53)57-45-43(5 0)41(48)40(47)42(49)44(45)51/h5,7,11,13,18-21,23-24,28,30,38,40-45,47-51H,3-4,6, 8-10,12,14-17,22,25-27,29,31-37H2,1-2H3,(H,52,53)/b7-5-,13-11-,19-18+,21-20-,24- 23-,30-28-/t38-,40?,41-,42?,43?,44?,45-/m1/s1 |
SMILES | [C@]([H])(OC(CC/C=C\C/C=C\C/C=C\C=C\CC/C=C\C/C=C\CC)=O)(COP(=O)(O)O[C@@H]1C(O)[C @H](O)C(O)C(O)C1O)COCCCCCCCCCCCCCC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |