In-Silico Structure database (LMISSD)
| |
LM ID | LMGP08029CEE |
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Common Name | PIP2[4',5'](O-16:1(9Z)/11:0) |
Systematic Name | 1-(9Z-hexadecenyl)-2-undecanoyl-sn-glycero-3-phosphoinositol-4,5-bisphosphate |
Synonyms | PIP2[4',5'](O-27:1); PIP2(O-16:1_11:0) |
Exact Mass | |
Formula | C36H71O18P3 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoinositol bisphosphates [GP08] |
Sub Class | 1-alkyl,2-acylglycerophosphoinositol bisphosphates [GP0802] |
PubChem Compound ID (CID) | - |
InChIKey | YCKLUSHAWZHKIR-ODEJTSSLSA-N |
InChI | InChI=1S/C36H71O18P3/c1-3-5-7-9-11-13-14-15-16-17-18-20-22-24-26-49-27-29(51-30( 37)25-23-21-19-12-10-8-6-4-2)28-50-57(47,48)54-34-31(38)32(39)35(52-55(41,42)43) 36(33(34)40)53-56(44,45)46/h13-14,29,31-36,38-40H,3-12,15-28H2,1-2H3,(H,47,48)(H 2,41,42,43)(H2,44,45,46)/b14-13-/t29-,31?,32+,33?,34-,35?,36?/m1/s1 |
SMILES | [C@]([H])(OC(CCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(OP(=O)(O)O)C(OP(=O)( O)O)C1O)COCCCCCCCC/C=C\CCCCCC |
MS Spectra | - |
Status | Active (generated by computational methods) |