In-Silico Structure database (LMISSD)
| |
LM ID | LMGP08039A4H |
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Common Name | PIP2[3',5'](P-16:1(11Z)/16:0) |
Systematic Name | 1-(1Z,11Z-hexadecadienyl)-2-hexadecanoyl-sn-glycero-3-phosphoinositol-3,5- bisphosphate |
Synonyms | PIP2[3',5'](P-32:1); PIP2(P-16:1_16:0) |
Exact Mass | |
Formula | C41H79O18P3 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoinositol bisphosphates [GP08] |
Sub Class | 1-(1Z-alkenyl),2-acylglycerophosphoinositol bisphosphates [GP0803] |
PubChem Compound ID (CID) | - |
InChIKey | DJXRNSWMRLOHGR-RGSLPHASSA-N |
InChI | InChI=1S/C41H79O18P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-54-32-34(56-35( 42)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)33-55-62(52,53)59-41-37(44)39(57-60( 46,47)48)36(43)40(38(41)45)58-61(49,50)51/h9,11,29,31,34,36-41,43-45H,3-8,10,12- 28,30,32-33H2,1-2H3,(H,52,53)(H2,46,47,48)(H2,49,50,51)/b11-9-,31-29-/t34-,36?,3 7?,38?,39-,40?,41-/m1/s1 |
SMILES | [C@]([H])(OC(CCCCCCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(O)C(OP (=O)(O)O)C1O)CO/C=C\CCCCCCCC/C=C\CCCC |
MS Spectra | - |
Status | Active (generated by computational methods) |