In-Silico Structure database (LMISSD)
| |
LM ID | LMGP06029AJQ |
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Common Name | PI(O-16:1(9Z)/16:0) |
Systematic Name | 1-(9Z-hexadecenyl)-2-hexadecanoyl-sn-glycero-3-phosphoinositol |
Synonyms | PI(O-32:1); PI(O-16:1/16:0) |
Exact Mass | |
Formula | C41H79O12P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoinositols [GP06] |
Sub Class | 1-alkyl,2-acylglycerophosphoinositols [GP0602] |
PubChem Compound ID (CID) | - |
InChIKey | FPZNUNGTOMZAIO-XRTPQVGDSA-N |
InChI | InChI=1S/C41H79O12P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-50-32-34(33-51-5 4(48,49)53-41-39(46)37(44)36(43)38(45)40(41)47)52-35(42)30-28-26-24-22-20-18-16- 14-12-10-8-6-4-2/h13,15,34,36-41,43-47H,3-12,14,16-33H2,1-2H3,(H,48,49)/b15-13-/ t34-,36?,37-,38?,39?,40?,41-/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 CCCCC/C=C\CCCCCC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |