In-Silico Structure database (LMISSD)
| |
LM ID | LMGP08039BVZ |
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Common Name | PIP2[4',5'](P-16:1(11Z)/12:0) |
Systematic Name | 1-(1Z,11Z-hexadecadienyl)-2-dodecanoyl-sn-glycero-3-phosphoinositol-4,5- bisphosphate |
Synonyms | PIP2[4',5'](P-28:1); PIP2(P-16:1_12:0) |
Exact Mass | |
Formula | C37H71O18P3 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoinositol bisphosphates [GP08] |
Sub Class | 1-(1Z-alkenyl),2-acylglycerophosphoinositol bisphosphates [GP0803] |
PubChem Compound ID (CID) | - |
InChIKey | MNFVVIITUGBOQB-BSFQUXJKSA-N |
InChI | InChI=1S/C37H71O18P3/c1-3-5-7-9-11-13-14-15-16-17-19-21-23-25-27-50-28-30(52-31( 38)26-24-22-20-18-12-10-8-6-4-2)29-51-58(48,49)55-35-32(39)33(40)36(53-56(42,43) 44)37(34(35)41)54-57(45,46)47/h9,11,25,27,30,32-37,39-41H,3-8,10,12-24,26,28-29H 2,1-2H3,(H,48,49)(H2,42,43,44)(H2,45,46,47)/b11-9-,27-25-/t30-,32?,33+,34?,35-,3 6?,37?/m1/s1 |
SMILES | [C@]([H])(OC(CCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(OP(=O)(O)O)C(OP(=O) (O)O)C1O)CO/C=C\CCCCCCCC/C=C\CCCC |
MS Spectra | - |
Status | Active (generated by computational methods) |