In-Silico Structure database (LMISSD)
| |
LM ID | LMGP09019AO0 |
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Common Name | PIP3[3',4',5'](15:0/18:4(6Z,9Z,12Z,15Z)) |
Systematic Name | 1-pentadecanoyl-2-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-sn-glycero-3- phosphoinositol-3,4,5-trisphosphate |
Synonyms | PIP3[3',4',5'](33:4); PIP3(15:0_18:4) |
Exact Mass | |
Formula | C42H76O22P4 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoinositol trisphosphates [GP09] |
Sub Class | Diacylglycerophosphoinositol trisphosphates [GP0901] |
PubChem Compound ID (CID) | - |
InChIKey | CBJJJNHMMFFZNU-WEJDRSDGSA-N |
InChI | InChI=1S/C42H76O22P4/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-36(44)60-34( 32-58-35(43)30-28-26-24-22-20-16-14-12-10-8-6-4-2)33-59-68(56,57)64-39-37(45)40( 61-65(47,48)49)42(63-67(53,54)55)41(38(39)46)62-66(50,51)52/h5,7,11,13,17-18,21, 23,34,37-42,45-46H,3-4,6,8-10,12,14-16,19-20,22,24-33H2,1-2H3,(H,56,57)(H2,47,48 ,49)(H2,50,51,52)(H2,53,54,55)/b7-5-,13-11-,18-17-,23-21-/t34-,37?,38?,39-,40+,4 1?,42?/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(OP(=O)(O)O)C1O)COC(CCCCCCCCCCCCCC)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |