In-Silico Structure database (LMISSD)
| |
LM ID | LMGP06029AN7 |
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Common Name | PI(O-18:1(11Z)/13:0) |
Systematic Name | 1-(11Z-octadecenyl)-2-tridecanoyl-sn-glycero-3-phosphoinositol |
Synonyms | PI(O-31:1); PI(O-18:1/13:0) |
Exact Mass | |
Formula | C40H77O12P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoinositols [GP06] |
Sub Class | 1-alkyl,2-acylglycerophosphoinositols [GP0602] |
PubChem Compound ID (CID) | - |
InChIKey | XTVINZPPRCSEDE-IWPBOCKDSA-N |
InChI | InChI=1S/C40H77O12P/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-49-31-33(5 1-34(41)29-27-25-23-21-14-12-10-8-6-4-2)32-50-53(47,48)52-40-38(45)36(43)35(42)3 7(44)39(40)46/h13,15,33,35-40,42-46H,3-12,14,16-32H2,1-2H3,(H,47,48)/b15-13-/t33 -,35?,36-,37?,38?,39?,40-/m1/s1 |
SMILES | [C@]([H])(OC(CCCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)COCCCCCC CCCC/C=C\CCCCCC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |