In-Silico Structure database (LMISSD)
| |
LM ID | LMGP20059FMG |
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Common Name | PI(P-16:1(9Z)/4:1(3E)) |
Systematic Name | 1-(1Z,9Z-hexadecadienyl)-2-3E-butenoyl-sn-glycero-3-phosphoinositol |
Synonyms | PI(P-20:2); PI(P-16:1/4:1) |
Exact Mass | |
Formula | C29H51O12P |
Category | Glycerophospholipids [GP] |
Main Class | Oxidized glycerophospholipids [GP20] |
Sub Class | Oxidized glycerophosphoinositols [GP2005] |
PubChem Compound ID (CID) | - |
InChIKey | VAJKJCIMVZDIHA-BKDALWSPSA-N |
InChI | InChI=1S/C29H51O12P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19-38-20-22(40-23(30) 18-4-2)21-39-42(36,37)41-29-27(34)25(32)24(31)26(33)28(29)35/h4,9-10,17,19,22,24 -29,31-35H,2-3,5-8,11-16,18,20-21H2,1H3,(H,36,37)/b10-9-,19-17-/t22-,24?,25-,26? ,27?,28?,29-/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)CO/C=C\CCCCCC/C= C\CCCCCC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |