In-Silico Structure database (LMISSD)
| |
LM ID | LMGP06029AMQ |
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Common Name | PI(O-18:0/18:4(9E,11E,13E,15E)) |
Systematic Name | 1-octadecyl-2-(9E,11E,13E,15E-octadecatetraenoyl)-sn-glycero-3-phosphoinositol |
Synonyms | PI(O-36:4); PI(O-18:0/18:4) |
Exact Mass | |
Formula | C45H81O12P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoinositols [GP06] |
Sub Class | 1-alkyl,2-acylglycerophosphoinositols [GP0602] |
PubChem Compound ID (CID) | - |
InChIKey | XDSFASBEKQBWPU-DPRGQBFDSA-N |
InChI | InChI=1S/C45H81O12P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-54-36-38(3 7-55-58(52,53)57-45-43(50)41(48)40(47)42(49)44(45)51)56-39(46)34-32-30-28-26-24- 22-20-18-16-14-12-10-8-6-4-2/h6,8,10,12,14,16,18,20,38,40-45,47-51H,3-5,7,9,11,1 3,15,17,19,21-37H2,1-2H3,(H,52,53)/b8-6+,12-10+,16-14+,20-18+/t38-,40?,41-,42?,4 3?,44?,45-/m1/s1 |
SMILES | [C@]([H])(OC(CCCCCCC/C=C/C=C/C=C/C=C/CC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C( O)C1O)COCCCCCCCCCCCCCCCCCC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |