In-Silico Structure database (LMISSD)
| |
LM ID | LMGP09019BYC |
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Common Name | PIP3[3',4',5'](18:2(9E,11E)/14:0) |
Systematic Name | 1-(9E,11E-octadecadienoyl)-2-tetradecanoyl-sn-glycero-3-phosphoinositol-3,4,5- trisphosphate |
Synonyms | PIP3[3',4',5'](32:2); PIP3(14:0_18:2) |
Exact Mass | |
Formula | C41H78O22P4 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoinositol trisphosphates [GP09] |
Sub Class | Diacylglycerophosphoinositol trisphosphates [GP0901] |
PubChem Compound ID (CID) | - |
InChIKey | JSVWWYBWTFRTCC-LCDMRNIOSA-N |
InChI | InChI=1S/C41H78O22P4/c1-3-5-7-9-11-13-15-16-17-18-20-21-23-25-27-29-34(42)57-31- 33(59-35(43)30-28-26-24-22-19-14-12-10-8-6-4-2)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/h13,15-17,33,36-41,44-4 5H,3-12,14,18-32H2,1-2H3,(H,55,56)(H2,46,47,48)(H2,49,50,51)(H2,52,53,54)/b15-13 +,17-16+/t33-,36?,37?,38-,39+,40?,41?/m1/s1 |
SMILES | [C@]([H])(OC(CCCCCCCCCCCCC)=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(CCCCCCC/C=C/C=C/CCCCCC)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |