In-Silico Structure database (LMISSD)
| |
LM ID | LMGP20059AG9 |
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Common Name | PI(13:0/4:0(4Ke)) |
Systematic Name | 1-tridecanoyl-2-(4-oxobutyryl)-sn-glycero-3-phosphoinositol |
Synonyms | PI(17:0(Ke)); PI(13:0/4:0(Ke)) |
Exact Mass | |
Formula | C26H47O14P |
Category | Glycerophospholipids [GP] |
Main Class | Oxidized glycerophospholipids [GP20] |
Sub Class | Oxidized glycerophosphoinositols [GP2005] |
PubChem Compound ID (CID) | - |
InChIKey | BSUBNBFANVNNCZ-LDMWEYEYSA-N |
InChI | InChI=1S/C26H47O14P/c1-2-3-4-5-6-7-8-9-10-11-13-19(28)37-16-18(39-20(29)14-12-15 -27)17-38-41(35,36)40-26-24(33)22(31)21(30)23(32)25(26)34/h15,18,21-26,30-34H,2- 14,16-17H2,1H3,(H,35,36)/t18-,21?,22-,23?,24?,25?,26-/m1/s1 |
SMILES | [C@]([H])(OC(CCC=O)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)COC(CCCCCCCCCCC C)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |