In-Silico Structure database (LMISSD)
| |
LM ID | LMGP07019ABD |
---|---|
Common Name | PIP[3'](10:0/20:1(13Z)) |
Systematic Name | 1-decanoyl-2-(13Z-eicosenoyl)-sn-glycero-3-phosphoinositol-3-phosphate |
Synonyms | PIP[3'](30:1); PIP(10:0_20:1) |
Exact Mass | |
Formula | C39H74O16P2 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoinositol monophosphates [GP07] |
Sub Class | Diacylglycerophosphoinositol monophosphates [GP0701] |
PubChem Compound ID (CID) | - |
InChIKey | YGTBHSJCCQQALM-BYLZWQPCSA-N |
InChI | InChI=1S/C39H74O16P2/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-22-24-26-28-33(41) 53-31(29-51-32(40)27-25-23-21-10-8-6-4-2)30-52-57(49,50)55-39-36(44)34(42)35(43) 38(37(39)45)54-56(46,47)48/h12-13,31,34-39,42-45H,3-11,14-30H2,1-2H3,(H,49,50)(H 2,46,47,48)/b13-12-/t31-,34?,35?,36?,37?,38-,39+/m1/s1 |
SMILES | [C@]([H])(OC(CCCCCCCCCCC/C=C\CCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C (O)C(O)C1O)COC(CCCCCCCCC)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |