In-Silico Structure database (LMISSD)
| |
LM ID | LMGP20059ADJ |
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Common Name | PI(11:0/4:0) |
Systematic Name | 1-undecanoyl-2-butyryl-sn-glycero-3-phosphoinositol |
Synonyms | PI(15:0); PI(11:0/4:0) |
Exact Mass | |
Formula | C24H45O13P |
Category | Glycerophospholipids [GP] |
Main Class | Oxidized glycerophospholipids [GP20] |
Sub Class | Oxidized glycerophosphoinositols [GP2005] |
PubChem Compound ID (CID) | - |
InChIKey | KCIXHDKWRPJWEN-CGWKNTEDSA-N |
InChI | InChI=1S/C24H45O13P/c1-3-5-6-7-8-9-10-11-13-17(25)34-14-16(36-18(26)12-4-2)15-35 -38(32,33)37-24-22(30)20(28)19(27)21(29)23(24)31/h16,19-24,27-31H,3-15H2,1-2H3,( H,32,33)/t16-,19?,20-,21?,22?,23?,24-/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(CCCCCCCCCC)=O |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |