In-Silico Structure database (LMISSD)
| |
LM ID | LMGP06039AMJ |
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Common Name | PI(P-18:1(9Z)/18:2(9E,11E)) |
Systematic Name | 1-(1Z,9Z-octadecadienyl)-2-(9E,11E-octadecadienoyl)-sn-glycero-3- phosphoinositol |
Synonyms | PI(P-36:3); PI(P-18:1/18:2) |
Exact Mass | |
Formula | C45H81O12P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoinositols [GP06] |
Sub Class | 1-(1Z-alkenyl),2-acylglycerophosphoinositols [GP0603] |
PubChem Compound ID (CID) | - |
InChIKey | ZURKGLMMTRAHHW-RZDGDQSPSA-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/h14,16-20,33,35,38,40-45,47-51H,3-13,15,21-32,34,36 -37H2,1-2H3,(H,52,53)/b16-14+,19-17-,20-18+,35-33-/t38-,40?,41-,42?,43?,44?,45-/ m1/s1 |
SMILES | [C@]([H])(OC(CCCCCCC/C=C/C=C/CCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1 O)CO/C=C\CCCCCC/C=C\CCCCCCCC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |