In-Silico Structure database (LMISSD)
| |
LM ID | LMGP06029AU9 |
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Common Name | PI(O-20:1(11Z)/16:0) |
Systematic Name | 1-(11Z-eicosenyl)-2-hexadecanoyl-sn-glycero-3-phosphoinositol |
Synonyms | PI(O-36:1); PI(O-20:1/16:0) |
Exact Mass | |
Formula | C45H87O12P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoinositols [GP06] |
Sub Class | 1-alkyl,2-acylglycerophosphoinositols [GP0602] |
PubChem Compound ID (CID) | - |
InChIKey | XHOPEZZJKINWQH-WJSNQBOWSA-N |
InChI | InChI=1S/C45H87O12P/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-35-54-3 6-38(37-55-58(52,53)57-45-43(50)41(48)40(47)42(49)44(45)51)56-39(46)34-32-30-28- 26-24-22-16-14-12-10-8-6-4-2/h17-18,38,40-45,47-51H,3-16,19-37H2,1-2H3,(H,52,53) /b18-17-/t38-,40?,41-,42?,43?,44?,45-/m1/s1 |
SMILES | [C@]([H])(OC(CCCCCCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)COCCC CCCCCCC/C=C\CCCCCCCC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |