In-Silico Structure database (LMISSD)
| |
LM ID | LMGP20059AZE |
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Common Name | PI(17:2(9Z,12Z)/2:0) |
Systematic Name | 1-(9Z,12Z-heptadecadienoyl)-2-acetyl-sn-glycero-3-phosphoinositol |
Synonyms | PI(19:2); PI(17:2/2:0) |
Exact Mass | |
Formula | C28H49O13P |
Category | Glycerophospholipids [GP] |
Main Class | Oxidized glycerophospholipids [GP20] |
Sub Class | Oxidized glycerophosphoinositols [GP2005] |
PubChem Compound ID (CID) | - |
InChIKey | ZSHFXXNXRACXNV-KYUOMTGCSA-N |
InChI | InChI=1S/C28H49O13P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(30)38-18-21(40-2 0(2)29)19-39-42(36,37)41-28-26(34)24(32)23(31)25(33)27(28)35/h6-7,9-10,21,23-28, 31-35H,3-5,8,11-19H2,1-2H3,(H,36,37)/b7-6-,10-9-/t21-,23?,24-,25?,26?,27?,28-/m1 /s1 |
SMILES | [C@]([H])(OC(C)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)COC(CCCCCCC/C=C\C/C =C\CCCC)=O |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |