In-Silico Structure database (LMISSD)
| |
LM ID | LMGP20059ABZ |
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Common Name | PI(10:0/8:1(6E)(5Ke,8Ke)) |
Systematic Name | 1-decanoyl-2-(5,8-dioxo-6E-octenoyl)-sn-glycero-3-phosphoinositol |
Synonyms | PI(18:1(Ke2)); PI(10:0/8:1(Ke2)) |
Exact Mass | |
Formula | C27H45O15P |
Category | Glycerophospholipids [GP] |
Main Class | Oxidized glycerophospholipids [GP20] |
Sub Class | Oxidized glycerophosphoinositols [GP2005] |
PubChem Compound ID (CID) | - |
InChIKey | KLYUZGKAZZDIJC-OYSXRRHDSA-N |
InChI | InChI=1S/C27H45O15P/c1-2-3-4-5-6-7-8-13-20(30)39-16-19(41-21(31)14-9-11-18(29)12 -10-15-28)17-40-43(37,38)42-27-25(35)23(33)22(32)24(34)26(27)36/h10,12,15,19,22- 27,32-36H,2-9,11,13-14,16-17H2,1H3,(H,37,38)/b12-10+/t19-,22?,23-,24?,25?,26?,27 -/m1/s1 |
SMILES | [C@]([H])(OC(CCCC(=O)/C=C/C=O)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)COC( CCCCCCCCC)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |