In-Silico Structure database (LMISSD)
| |
LM ID | LMGP20059AAK |
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Common Name | PI(10:0/18:2(10E,12Z)(9OH[R])) |
Systematic Name | 1-decanoyl-2-(9R-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 | DIWUFUOOIRPVCY-QDRHZUEPSA-N |
InChI | InChI=1S/C37H67O14P/c1-3-5-7-9-11-14-18-22-28(38)23-19-15-13-17-21-25-31(40)50-2 9(26-48-30(39)24-20-16-12-10-8-6-4-2)27-49-52(46,47)51-37-35(44)33(42)32(41)34(4 3)36(37)45/h11,14,18,22,28-29,32-38,41-45H,3-10,12-13,15-17,19-21,23-27H2,1-2H3, (H,46,47)/b14-11-,22-18+/t28-,29+,32?,33+,34?,35?,36?,37+/m0/s1 |
SMILES | [C@]([H])(OC(CCCCCCC[C@@H](O)/C=C/C=C\CCCCC)=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) |