In-Silico Structure database (LMISSD)
| |
LM ID | LMGP20059AAE |
---|---|
Common Name | PI(10:0/12:1(10E)(9OH,12Ke)) |
Systematic Name | 1-decanoyl-2-(9-hydroxy-12-oxo-10E-dodecenoyl)-sn-glycero-3-phosphoinositol |
Synonyms | PI(22:1(OH,Ke)); PI(10:0/12:1(OH,Ke)) |
Exact Mass | |
Formula | C31H55O15P |
Category | Glycerophospholipids [GP] |
Main Class | Oxidized glycerophospholipids [GP20] |
Sub Class | Oxidized glycerophosphoinositols [GP2005] |
PubChem Compound ID (CID) | - |
InChIKey | NMDPWRCNXHWTMO-SLWWMFTPSA-N |
InChI | InChI=1S/C31H55O15P/c1-2-3-4-5-6-9-12-17-24(34)43-20-23(45-25(35)18-13-10-7-8-11 -15-22(33)16-14-19-32)21-44-47(41,42)46-31-29(39)27(37)26(36)28(38)30(31)40/h14, 16,19,22-23,26-31,33,36-40H,2-13,15,17-18,20-21H2,1H3,(H,41,42)/b16-14+/t22?,23- ,26?,27-,28?,29?,30?,31-/m1/s1 |
SMILES | [C@]([H])(OC(CCCCCCCC(O)/C=C/C=O)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)C OC(CCCCCCCCC)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |