In-Silico Structure database (LMISSD)
| |
LM ID | LMGP09019CLC |
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Common Name | PIP3[3',4',5'](20:1(11E)/12:0) |
Systematic Name | 1-(11E-eicosenoyl)-2-dodecanoyl-sn-glycero-3-phosphoinositol-3,4,5- trisphosphate |
Synonyms | PIP3[3',4',5'](32:1); PIP3(12:0_20:1) |
Exact Mass | |
Formula | C41H80O22P4 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoinositol trisphosphates [GP09] |
Sub Class | Diacylglycerophosphoinositol trisphosphates [GP0901] |
PubChem Compound ID (CID) | - |
InChIKey | WFVXPXRYKAMJEK-YLGOFJRLSA-N |
InChI | InChI=1S/C41H80O22P4/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-22-23-25-27-29-34(42) 57-31-33(59-35(43)30-28-26-24-21-12-10-8-6-4-2)32-58-67(55,56)63-38-36(44)39(60- 64(46,47)48)41(62-66(52,53)54)40(37(38)45)61-65(49,50)51/h15-16,33,36-41,44-45H, 3-14,17-32H2,1-2H3,(H,55,56)(H2,46,47,48)(H2,49,50,51)(H2,52,53,54)/b16-15+/t33- ,36?,37?,38-,39+,40?,41?/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(OP(=O)(O)O)C1O)COC(CCCCCCCCC/C=C/CCCCCCCC)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |