In-Silico Structure database (LMISSD)
| |
LM ID | LMGP20059FKJ |
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Common Name | PI(P-16:1(11Z)/4:0) |
Systematic Name | 1-(1Z,11Z-hexadecadienyl)-2-butyryl-sn-glycero-3-phosphoinositol |
Synonyms | PI(P-20:1); PI(P-16:1/4:0) |
Exact Mass | |
Formula | C29H53O12P |
Category | Glycerophospholipids [GP] |
Main Class | Oxidized glycerophospholipids [GP20] |
Sub Class | Oxidized glycerophosphoinositols [GP2005] |
PubChem Compound ID (CID) | - |
InChIKey | OYCFXLAWPWZBNU-FIYGGQQOSA-N |
InChI | InChI=1S/C29H53O12P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19-38-20-22(40-23(30) 18-4-2)21-39-42(36,37)41-29-27(34)25(32)24(31)26(33)28(29)35/h7-8,17,19,22,24-29 ,31-35H,3-6,9-16,18,20-21H2,1-2H3,(H,36,37)/b8-7-,19-17-/t22-,24?,25-,26?,27?,28 ?,29-/m1/s1 |
SMILES | [C@]([H])(OC(CCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)CO/C=C\CCCCCCCC/C =C\CCCC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |