In-Silico Structure database (LMISSD)
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LM ID | LMGP06029AIJ |
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Common Name | PI(O-16:1(11Z)/20:4(6E,8Z,11Z,14Z)) |
Systematic Name | 1-(11Z-hexadecenyl)-2-(6E,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3- phosphoinositol |
Synonyms | PI(O-36:5); PI(O-16:1/20:4) |
Exact Mass | |
Formula | C45H79O12P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoinositols [GP06] |
Sub Class | 1-alkyl,2-acylglycerophosphoinositols [GP0602] |
PubChem Compound ID (CID) | - |
InChIKey | PAAUOAZISKVZRK-HKCSMTAKSA-N |
InChI | InChI=1S/C45H79O12P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-39(46)5 6-38(36-54-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2)37-55-58(52,53)57-45-43(5 0)41(48)40(47)42(49)44(45)51/h10-13,17,19,21-22,24,26,38,40-45,47-51H,3-9,14-16, 18,20,23,25,27-37H2,1-2H3,(H,52,53)/b12-10-,13-11-,19-17-,22-21-,26-24+/t38-,40? ,41-,42?,43?,44?,45-/m1/s1 |
SMILES | [C@]([H])(OC(CCCC/C=C/C=C\C/C=C\C/C=C\CCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C( O)C(O)C1O)COCCCCCCCCCC/C=C\CCCC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |