In-Silico Structure database (LMISSD)
| |
LM ID | LMGP20059FHU |
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Common Name | PI(P-16:0/2:0) |
Systematic Name | 1-(1Z-hexadecenyl)-2-acetyl-sn-glycero-3-phosphoinositol |
Synonyms | PI(P-18:0); PI(P-16:0/2:0) |
Exact Mass | |
Formula | C27H51O12P |
Category | Glycerophospholipids [GP] |
Main Class | Oxidized glycerophospholipids [GP20] |
Sub Class | Oxidized glycerophosphoinositols [GP2005] |
PubChem Compound ID (CID) | - |
InChIKey | VISMIYTVRIBKCV-XEMVEPLASA-N |
InChI | InChI=1S/C27H51O12P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-36-18-21(38-20(2)28 )19-37-40(34,35)39-27-25(32)23(30)22(29)24(31)26(27)33/h16-17,21-27,29-33H,3-15, 18-19H2,1-2H3,(H,34,35)/b17-16-/t21-,22?,23-,24?,25?,26?,27-/m1/s1 |
SMILES | [C@]([H])(OC(C)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)CO/C=C\CCCCCCCCCCCC CC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |