In-Silico Structure database (LMISSD)
| |
LM ID | LMGP09019A8Y |
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Common Name | PIP3[3',4',5'](18:1(11E)/13:0) |
Systematic Name | 1-(11E-octadecenoyl)-2-tridecanoyl-sn-glycero-3-phosphoinositol-3,4,5- trisphosphate |
Synonyms | PIP3[3',4',5'](31:1); PIP3(13:0_18:1) |
Exact Mass | |
Formula | C40H78O22P4 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoinositol trisphosphates [GP09] |
Sub Class | Diacylglycerophosphoinositol trisphosphates [GP0901] |
PubChem Compound ID (CID) | - |
InChIKey | YPEXJUIRJSFHTO-AJKBHJFBSA-N |
InChI | InChI=1S/C40H78O22P4/c1-3-5-7-9-11-13-15-16-17-18-19-21-22-24-26-28-33(41)56-30- 32(58-34(42)29-27-25-23-20-14-12-10-8-6-4-2)31-57-66(54,55)62-37-35(43)38(59-63( 45,46)47)40(61-65(51,52)53)39(36(37)44)60-64(48,49)50/h13,15,32,35-40,43-44H,3-1 2,14,16-31H2,1-2H3,(H,54,55)(H2,45,46,47)(H2,48,49,50)(H2,51,52,53)/b15-13+/t32- ,35?,36?,37-,38+,39?,40?/m1/s1 |
SMILES | [C@]([H])(OC(CCCCCCCCCCCC)=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/CCCCCC)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |