In-Silico Structure database (LMISSD)
| |
LM ID | LMGP09019AQH |
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Common Name | PIP3[3',4',5'](15:1(9Z)/12:0) |
Systematic Name | 1-(9Z-pentadecenoyl)-2-dodecanoyl-sn-glycero-3-phosphoinositol-3,4,5- trisphosphate |
Synonyms | PIP3[3',4',5'](27:1); PIP3(12:0_15:1) |
Exact Mass | |
Formula | C36H70O22P4 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoinositol trisphosphates [GP09] |
Sub Class | Diacylglycerophosphoinositol trisphosphates [GP0901] |
PubChem Compound ID (CID) | - |
InChIKey | UJFBRWFDFSBTOM-XRRJGFPSSA-N |
InChI | InChI=1S/C36H70O22P4/c1-3-5-7-9-11-13-14-15-17-18-20-22-24-29(37)52-26-28(54-30( 38)25-23-21-19-16-12-10-8-6-4-2)27-53-62(50,51)58-33-31(39)34(55-59(41,42)43)36( 57-61(47,48)49)35(32(33)40)56-60(44,45)46/h11,13,28,31-36,39-40H,3-10,12,14-27H2 ,1-2H3,(H,50,51)(H2,41,42,43)(H2,44,45,46)(H2,47,48,49)/b13-11-/t28-,31?,32?,33- ,34+,35?,36?/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(CCCCCCC/C=C\CCCCC)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |