In-Silico Structure database (LMISSD)
| |
LM ID | LMGP06029AQN |
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Common Name | PI(O-18:1(9Z)/16:0) |
Systematic Name | 1-(9Z-octadecenyl)-2-hexadecanoyl-sn-glycero-3-phosphoinositol |
Synonyms | PI(O-34:1); PI(O-18:1/16:0) |
Exact Mass | |
Formula | C43H83O12P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoinositols [GP06] |
Sub Class | 1-alkyl,2-acylglycerophosphoinositols [GP0602] |
PubChem Compound ID (CID) | - |
InChIKey | LHBBLBJQJFRWTD-OYMKIBOASA-N |
InChI | InChI=1S/C43H83O12P/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-33-52-34-36(3 5-53-56(50,51)55-43-41(48)39(46)38(45)40(47)42(43)49)54-37(44)32-30-28-26-24-22- 20-16-14-12-10-8-6-4-2/h17-18,36,38-43,45-49H,3-16,19-35H2,1-2H3,(H,50,51)/b18-1 7-/t36-,38?,39-,40?,41?,42?,43-/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\CCCCCCCC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |