In-Silico Structure database (LMISSD)
| |
LM ID | LMGP08029ABD |
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Common Name | PIP2[3',4'](O-14:0/20:1(13Z)) |
Systematic Name | 1-tetradecyl-2-(13Z-eicosenoyl)-sn-glycero-3-phosphoinositol-3,4-bisphosphate |
Synonyms | PIP2[3',4'](O-34:1); PIP2(O-14:0_20:1) |
Exact Mass | |
Formula | C43H85O18P3 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoinositol bisphosphates [GP08] |
Sub Class | 1-alkyl,2-acylglycerophosphoinositol bisphosphates [GP0802] |
PubChem Compound ID (CID) | - |
InChIKey | CNQBAUDLTKWYKF-OJBQAAKMSA-N |
InChI | InChI=1S/C43H85O18P3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-37(44) 58-36(34-56-33-31-29-27-25-23-16-14-12-10-8-6-4-2)35-57-64(54,55)61-41-38(45)39( 46)42(59-62(48,49)50)43(40(41)47)60-63(51,52)53/h13,15,36,38-43,45-47H,3-12,14,1 6-35H2,1-2H3,(H,54,55)(H2,48,49,50)(H2,51,52,53)/b15-13-/t36-,38?,39?,40?,41+,42 ?,43+/m1/s1 |
SMILES | [C@]([H])(OC(CCCCCCCCCCC/C=C\CCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C (OP(=O)(O)O)C(O)C1O)COCCCCCCCCCCCCCC |
MS Spectra | - |
Status | Active (generated by computational methods) |