In-Silico Structure database (LMISSD)
| |
LM ID | LMGP20059ABT |
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Common Name | PI(10:0/7:1(5E)(4Ke,7Ke)) |
Systematic Name | 1-decanoyl-2-(4,7-dioxo-5E-heptenoyl)-sn-glycero-3-phosphoinositol |
Synonyms | PI(17:1(Ke2)); PI(10:0/7:1(Ke2)) |
Exact Mass | |
Formula | C26H43O15P |
Category | Glycerophospholipids [GP] |
Main Class | Oxidized glycerophospholipids [GP20] |
Sub Class | Oxidized glycerophosphoinositols [GP2005] |
PubChem Compound ID (CID) | - |
InChIKey | DFOMCUWGKINYIN-UPSCQHMCSA-N |
InChI | InChI=1S/C26H43O15P/c1-2-3-4-5-6-7-8-11-19(29)38-15-18(40-20(30)13-12-17(28)10-9 -14-27)16-39-42(36,37)41-26-24(34)22(32)21(31)23(33)25(26)35/h9-10,14,18,21-26,3 1-35H,2-8,11-13,15-16H2,1H3,(H,36,37)/b10-9+/t18-,21?,22-,23?,24?,25?,26-/m1/s1 |
SMILES | [C@]([H])(OC(CCC(=O)/C=C/C=O)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)COC(C CCCCCCCC)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |