In-Silico Structure database (LMISSD)
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LM ID | LMGP20059BZA |
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Common Name | PI(18:4(6Z,9Z,12Z,15Z)/2:0) |
Systematic Name | 1-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-2-acetyl-sn-glycero-3-phosphoinositol |
Synonyms | PI(20:4); PI(18:4/2:0) |
Exact Mass | |
Formula | C29H47O13P |
Category | Glycerophospholipids [GP] |
Main Class | Oxidized glycerophospholipids [GP20] |
Sub Class | Oxidized glycerophosphoinositols [GP2005] |
PubChem Compound ID (CID) | - |
InChIKey | HUTYPDOOWTVSBO-VYGVKYSDSA-N |
InChI | InChI=1S/C29H47O13P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(31)39-19-22(4 1-21(2)30)20-40-43(37,38)42-29-27(35)25(33)24(32)26(34)28(29)36/h4-5,7-8,10-11,1 3-14,22,24-29,32-36H,3,6,9,12,15-20H2,1-2H3,(H,37,38)/b5-4-,8-7-,11-10-,14-13-/t 22-,24?,25-,26?,27?,28?,29-/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(CCCC/C=C\C/C=C\ C/C=C\C/C=C\CC)=O |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |