In-Silico Structure database (LMISSD)
| |
LM ID | LMGP06029AF6 |
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Common Name | PI(O-16:0/20:4(5Z,8Z,11Z,13E)) |
Systematic Name | 1-hexadecyl-2-(5Z,8Z,11Z,13E-eicosatetraenoyl)-sn-glycero-3-phosphoinositol |
Synonyms | PI(O-36:4); PI(O-16:0/20:4) |
Exact Mass | |
Formula | C45H81O12P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoinositols [GP06] |
Sub Class | 1-alkyl,2-acylglycerophosphoinositols [GP0602] |
PubChem Compound ID (CID) | - |
InChIKey | PHEJPYPAFSQVOV-CGTQVRSXSA-N |
InChI | InChI=1S/C45H81O12P/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/h13,15,17,19,21-22,26,28,38,40-45,47-51H,3-12,14,16 ,18,20,23-25,27,29-37H2,1-2H3,(H,52,53)/b15-13+,19-17-,22-21-,28-26-/t38-,40?,41 -,42?,43?,44?,45-/m1/s1 |
SMILES | [C@]([H])(OC(CCC/C=C\C/C=C\C/C=C\C=C\CCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C( O)C(O)C1O)COCCCCCCCCCCCCCCCC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |