In-Silico Structure database (LMISSD)
| |
LM ID | LMGP20059AK3 |
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Common Name | PI(14:1(9Z)/4:0) |
Systematic Name | 1-(9Z-tetradecenoyl)-2-butyryl-sn-glycero-3-phosphoinositol |
Synonyms | PI(18:1); PI(14:1/4:0) |
Exact Mass | |
Formula | C27H49O13P |
Category | Glycerophospholipids [GP] |
Main Class | Oxidized glycerophospholipids [GP20] |
Sub Class | Oxidized glycerophosphoinositols [GP2005] |
PubChem Compound ID (CID) | - |
InChIKey | YCTXIJDQZJKKTG-ADSSUSPKSA-N |
InChI | InChI=1S/C27H49O13P/c1-3-5-6-7-8-9-10-11-12-13-14-16-20(28)37-17-19(39-21(29)15- 4-2)18-38-41(35,36)40-27-25(33)23(31)22(30)24(32)26(27)34/h7-8,19,22-27,30-34H,3 -6,9-18H2,1-2H3,(H,35,36)/b8-7-/t19-,22?,23-,24?,25?,26?,27-/m1/s1 |
SMILES | [C@]([H])(OC(CCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)COC(CCCCCCC/C=C\C CCC)=O |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |