In-Silico Structure database (LMISSD)
| |
LM ID | LMGP20059EOG |
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Common Name | PI(O-14:0/4:1(3E)) |
Systematic Name | 1-tetradecyl-2-3E-butenoyl-sn-glycero-3-phosphoinositol |
Synonyms | PI(O-18:1); PI(O-14:0/4:1) |
Exact Mass | |
Formula | C27H51O12P |
Category | Glycerophospholipids [GP] |
Main Class | Oxidized glycerophospholipids [GP20] |
Sub Class | Oxidized glycerophosphoinositols [GP2005] |
PubChem Compound ID (CID) | - |
InChIKey | CXCZHEMEXZUJNL-HULSJBAWSA-N |
InChI | InChI=1S/C27H51O12P/c1-3-5-6-7-8-9-10-11-12-13-14-15-17-36-18-20(38-21(28)16-4-2 )19-37-40(34,35)39-27-25(32)23(30)22(29)24(31)26(27)33/h4,20,22-27,29-33H,2-3,5- 19H2,1H3,(H,34,35)/t20-,22?,23-,24?,25?,26?,27-/m1/s1 |
SMILES | [C@]([H])(OC(CC=C)=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) |