In-Silico Structure database (LMISSD)
| |
LM ID | LMGP06029A8V |
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Common Name | PI(O-22:1(9Z)/10:0) |
Systematic Name | 1-(9Z-docosenyl)-2-decanoyl-sn-glycero-3-phosphoinositol |
Synonyms | PI(O-32:1); PI(O-22:1/10:0) |
Exact Mass | |
Formula | C41H79O12P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoinositols [GP06] |
Sub Class | 1-alkyl,2-acylglycerophosphoinositols [GP0602] |
PubChem Compound ID (CID) | - |
InChIKey | XXMMSIGXEXVBKN-DVKFNTSESA-N |
InChI | InChI=1S/C41H79O12P/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-22-23-25-27-29-3 1-50-32-34(52-35(42)30-28-26-24-10-8-6-4-2)33-51-54(48,49)53-41-39(46)37(44)36(4 3)38(45)40(41)47/h18-19,34,36-41,43-47H,3-17,20-33H2,1-2H3,(H,48,49)/b19-18-/t34 -,36?,37-,38?,39?,40?,41-/m1/s1 |
SMILES | [C@]([H])(OC(CCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)COCCCCCCCC/ C=C\CCCCCCCCCCCC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |