In-Silico Structure database (LMISSD)
| |
LM ID | LMGP06029AIM |
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Common Name | PI(O-16:1(11Z)/21:0) |
Systematic Name | 1-(11Z-hexadecenyl)-2-heneicosanoyl-sn-glycero-3-phosphoinositol |
Synonyms | PI(O-37:1); PI(O-16:1/21:0) |
Exact Mass | |
Formula | C46H89O12P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoinositols [GP06] |
Sub Class | 1-alkyl,2-acylglycerophosphoinositols [GP0602] |
PubChem Compound ID (CID) | - |
InChIKey | HFGVDOJCEJALPV-OARWBVRXSA-N |
InChI | InChI=1S/C46H89O12P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-25-27-29-31-33-35-40(4 7)57-39(37-55-36-34-32-30-28-26-24-18-16-14-12-10-8-6-4-2)38-56-59(53,54)58-46-4 4(51)42(49)41(48)43(50)45(46)52/h10,12,39,41-46,48-52H,3-9,11,13-38H2,1-2H3,(H,5 3,54)/b12-10-/t39-,41?,42-,43?,44?,45?,46-/m1/s1 |
SMILES | [C@]([H])(OC(CCCCCCCCCCCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O) COCCCCCCCCCC/C=C\CCCC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |