In-Silico Structure database (LMISSD)
| |
LM ID | LMGP09019AAN |
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Common Name | PIP3[3',4',5'](10:0/17:2(9Z,12Z)) |
Systematic Name | 1-decanoyl-2-(9Z,12Z-heptadecadienoyl)-sn-glycero-3-phosphoinositol-3,4,5- trisphosphate |
Synonyms | PIP3[3',4',5'](27:2); PIP3(10:0_17:2) |
Exact Mass | |
Formula | C36H68O22P4 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoinositol trisphosphates [GP09] |
Sub Class | Diacylglycerophosphoinositol trisphosphates [GP0901] |
PubChem Compound ID (CID) | - |
InChIKey | SQXKPRMYTDQEDV-YWIVQAPJSA-N |
InChI | InChI=1S/C36H68O22P4/c1-3-5-7-9-11-12-13-14-15-16-17-19-21-23-25-30(38)54-28(26- 52-29(37)24-22-20-18-10-8-6-4-2)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/h9,11,13-14,28,31-36,39-40H,3-8,10,12, 15-27H2,1-2H3,(H,50,51)(H2,41,42,43)(H2,44,45,46)(H2,47,48,49)/b11-9-,14-13-/t28 -,31?,32?,33-,34+,35?,36?/m1/s1 |
SMILES | [C@]([H])(OC(CCCCCCC/C=C\C/C=C\CCCC)=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)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |