In-Silico Structure database (LMISSD)
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LM ID | LMGP08039AA6 |
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Common Name | PIP2[3',4'](P-16:0/18:4(6Z,9Z,12Z,15Z)) |
Systematic Name | 1-(1Z-hexadecenyl)-2-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-sn-glycero-3- phosphoinositol-3,4-bisphosphate |
Synonyms | PIP2[3',4'](P-34:4); PIP2(P-16:0_18:4) |
Exact Mass | |
Formula | C43H77O18P3 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoinositol bisphosphates [GP08] |
Sub Class | 1-(1Z-alkenyl),2-acylglycerophosphoinositol bisphosphates [GP0803] |
PubChem Compound ID (CID) | - |
InChIKey | LAUHNQWGMKGROW-SJWCYYKYSA-N |
InChI | InChI=1S/C43H77O18P3/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-37(44)58-36( 34-56-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)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/h5,7,11,13,17,19,22,24,31,33,36, 38-43,45-47H,3-4,6,8-10,12,14-16,18,20-21,23,25-30,32,34-35H2,1-2H3,(H,54,55)(H2 ,48,49,50)(H2,51,52,53)/b7-5-,13-11-,19-17-,24-22-,33-31-/t36-,38?,39?,40?,41+,4 2?,43+/m1/s1 |
SMILES | [C@]([H])(OC(CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O) (=O)O)C(OP(=O)(O)O)C(O)C1O)CO/C=C\CCCCCCCCCCCCCC |
MS Spectra | - |
Status | Active (generated by computational methods) |