In-Silico Structure database (LMISSD)
| |
LM ID | LMGP07019ABE |
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Common Name | PIP[3'](10:0/20:2(11Z,14Z)) |
Systematic Name | 1-decanoyl-2-(11Z,14Z-eicosadienoyl)-sn-glycero-3-phosphoinositol-3-phosphate |
Synonyms | PIP[3'](30:2); PIP(10:0_20:2) |
Exact Mass | |
Formula | C39H72O16P2 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoinositol monophosphates [GP07] |
Sub Class | Diacylglycerophosphoinositol monophosphates [GP0701] |
PubChem Compound ID (CID) | - |
InChIKey | PBATWWGEASMSMB-AUHXENIPSA-N |
InChI | InChI=1S/C39H72O16P2/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/h11-12,14-15,31,34-39,42-45H,3-10,13,16-30H2,1-2H3,(H ,49,50)(H2,46,47,48)/b12-11-,15-14-/t31-,34?,35?,36?,37?,38-,39+/m1/s1 |
SMILES | [C@]([H])(OC(CCCCCCCCC/C=C\C/C=C\CCCCC)=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) |