In-Silico Structure database (LMISSD)
| |
LM ID | LMGP08039AAC |
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Common Name | PIP2[3',4'](P-16:0/12:0) |
Systematic Name | 1-(1Z-hexadecenyl)-2-dodecanoyl-sn-glycero-3-phosphoinositol-3,4-bisphosphate |
Synonyms | PIP2[3',4'](P-28:0); PIP2(P-16:0_12:0) |
Exact Mass | |
Formula | C37H73O18P3 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoinositol bisphosphates [GP08] |
Sub Class | 1-(1Z-alkenyl),2-acylglycerophosphoinositol bisphosphates [GP0803] |
PubChem Compound ID (CID) | - |
InChIKey | YJNOZRIEHSNCGG-AFRKUOCLSA-N |
InChI | InChI=1S/C37H73O18P3/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/h25,27,30,32-37,39-41H,3-24,26,28-29H2,1-2H3,(H,48 ,49)(H2,42,43,44)(H2,45,46,47)/b27-25-/t30-,32?,33?,34?,35+,36?,37+/m1/s1 |
SMILES | [C@]([H])(OC(CCCCCCCCCCC)=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) |