In-Silico Structure database (LMISSD)
| |
LM ID | LMGP20059FGP |
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Common Name | PI(P-14:0/4:0(4Ke)) |
Systematic Name | 1-(1Z-tetradecenyl)-2-(4-oxobutyryl)-sn-glycero-3-phosphoinositol |
Synonyms | PI(P-18:0(Ke)); PI(P-14:0/4:0(Ke)) |
Exact Mass | |
Formula | C27H49O13P |
Category | Glycerophospholipids [GP] |
Main Class | Oxidized glycerophospholipids [GP20] |
Sub Class | Oxidized glycerophosphoinositols [GP2005] |
PubChem Compound ID (CID) | - |
InChIKey | LZRLXQJHGIDKGJ-UYGVYLFUSA-N |
InChI | InChI=1S/C27H49O13P/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-37-18-20(39-21(29)15-14-16 -28)19-38-41(35,36)40-27-25(33)23(31)22(30)24(32)26(27)34/h13,16-17,20,22-27,30- 34H,2-12,14-15,18-19H2,1H3,(H,35,36)/b17-13-/t20-,22?,23-,24?,25?,26?,27-/m1/s1 |
SMILES | [C@]([H])(OC(CCC=O)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)CO/C=C\CCCCCCCC CCCC |
MS Spectra | - |
Status | Active (generated by computational methods) |