In-Silico Structure database (LMISSD)
| |
LM ID | LMGP08039BA9 |
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Common Name | PIP2[3',5'](P-18:1(11Z)/13:0) |
Systematic Name | 1-(1Z,11Z-octadecadienyl)-2-tridecanoyl-sn-glycero-3-phosphoinositol-3,5- bisphosphate |
Synonyms | PIP2[3',5'](P-31:1); PIP2(P-18:1_13:0) |
Exact Mass | |
Formula | C40H77O18P3 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoinositol bisphosphates [GP08] |
Sub Class | 1-(1Z-alkenyl),2-acylglycerophosphoinositol bisphosphates [GP0803] |
PubChem Compound ID (CID) | - |
InChIKey | MLDROFQUGLMFRO-MEWYETSASA-N |
InChI | InChI=1S/C40H77O18P3/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-53-31-33( 55-34(41)29-27-25-23-21-14-12-10-8-6-4-2)32-54-61(51,52)58-40-36(43)38(56-59(45, 46)47)35(42)39(37(40)44)57-60(48,49)50/h13,15,28,30,33,35-40,42-44H,3-12,14,16-2 7,29,31-32H2,1-2H3,(H,51,52)(H2,45,46,47)(H2,48,49,50)/b15-13-,30-28-/t33-,35?,3 6?,37?,38-,39?,40-/m1/s1 |
SMILES | [C@]([H])(OC(CCCCCCCCCCCC)=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\CCCCCC |
MS Spectra | - |
Status | Active (generated by computational methods) |