In-Silico Structure database (LMISSD)
| |
LM ID | LMGP09019DVF |
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Common Name | PIP3[3',4',5'](22:5(4Z,7Z,10Z,13Z,16Z)/11:0) |
Systematic Name | 1-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-2-undecanoyl-sn-glycero-3- phosphoinositol-3,4,5-trisphosphate |
Synonyms | PIP3[3',4',5'](33:5); PIP3(11:0_22:5) |
Exact Mass | |
Formula | C42H74O22P4 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoinositol trisphosphates [GP09] |
Sub Class | Diacylglycerophosphoinositol trisphosphates [GP0901] |
PubChem Compound ID (CID) | - |
InChIKey | UUOXBMAWOJTGQW-SFQOQRNYSA-N |
InChI | InChI=1S/C42H74O22P4/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-25-26-28-30- 35(43)58-32-34(60-36(44)31-29-27-24-12-10-8-6-4-2)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/h11,13,15-16,18-19,2 1-22,25-26,34,37-42,45-46H,3-10,12,14,17,20,23-24,27-33H2,1-2H3,(H,56,57)(H2,47, 48,49)(H2,50,51,52)(H2,53,54,55)/b13-11-,16-15-,19-18-,22-21-,26-25-/t34-,37?,38 ?,39-,40+,41?,42?/m1/s1 |
SMILES | [C@]([H])(OC(CCCCCCCCCC)=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(CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |