In-Silico Structure database (LMISSD)
| |
LM ID | LMGP20059AAT |
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Common Name | PI(10:0/18:2(9Z,15Z)(12OH[S])) |
Systematic Name | 1-decanoyl-2-(12S-HODE)-sn-glycero-3-phosphoinositol |
Synonyms | PI(28:2(OH)); PI(10:0/18:2(OH)) |
Exact Mass | |
Formula | C37H67O14P |
Category | Glycerophospholipids [GP] |
Main Class | Oxidized glycerophospholipids [GP20] |
Sub Class | Oxidized glycerophosphoinositols [GP2005] |
PubChem Compound ID (CID) | - |
InChIKey | DOYVJBMGXYCALE-IRTICBLRSA-N |
InChI | InChI=1S/C37H67O14P/c1-3-5-7-9-12-16-20-24-30(39)48-26-29(27-49-52(46,47)51-37-3 5(44)33(42)32(41)34(43)36(37)45)50-31(40)25-21-17-14-11-10-13-15-19-23-28(38)22- 18-8-6-4-2/h6,8,15,19,28-29,32-38,41-45H,3-5,7,9-14,16-18,20-27H2,1-2H3,(H,46,47 )/b8-6-,19-15-/t28-,29+,32?,33+,34?,35?,36?,37+/m0/s1 |
SMILES | [C@]([H])(OC(CCCCCCC/C=C\C[C@@H](O)CC/C=C\CC)=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) |