In-Silico Structure database (LMISSD)
| |
LM ID | LMGP06029AAN |
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Common Name | PI(O-14:0/17:2(9Z,12Z)) |
Systematic Name | 1-tetradecyl-2-(9Z,12Z-heptadecadienoyl)-sn-glycero-3-phosphoinositol |
Synonyms | PI(O-31:2); PI(O-14:0/17:2) |
Exact Mass | |
Formula | C40H75O12P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoinositols [GP06] |
Sub Class | 1-alkyl,2-acylglycerophosphoinositols [GP0602] |
PubChem Compound ID (CID) | - |
InChIKey | XBBKUGQDGFNNMJ-AOMCZTQBSA-N |
InChI | InChI=1S/C40H75O12P/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-34(41)51-33(31-4 9-30-28-26-24-22-20-16-14-12-10-8-6-4-2)32-50-53(47,48)52-40-38(45)36(43)35(42)3 7(44)39(40)46/h9,11,15,17,33,35-40,42-46H,3-8,10,12-14,16,18-32H2,1-2H3,(H,47,48 )/b11-9-,17-15-/t33-,35?,36-,37?,38?,39?,40-/m1/s1 |
SMILES | [C@]([H])(OC(CCCCCCC/C=C\C/C=C\CCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1 O)COCCCCCCCCCCCCCC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |