In-Silico Structure database (LMISSD)
| |
LM ID | LMGP07019FL0 |
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Common Name | PIP[4'](10:0/17:2(9Z,12Z)) |
Systematic Name | 1-decanoyl-2-(9Z,12Z-heptadecadienoyl)-sn-glycero-3-phosphoinositol-4-phosphate |
Synonyms | PIP[4'](27:2); PIP(10:0_17:2) |
Exact Mass | |
Formula | C36H66O16P2 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoinositol monophosphates [GP07] |
Sub Class | Diacylglycerophosphoinositol monophosphates [GP0701] |
PubChem Compound ID (CID) | - |
InChIKey | KZIMMFVCUKVSNY-MUJCXPQYSA-N |
InChI | InChI=1S/C36H66O16P2/c1-3-5-7-9-11-12-13-14-15-16-17-19-21-23-25-30(38)50-28(26- 48-29(37)24-22-20-18-10-8-6-4-2)27-49-54(46,47)52-36-33(41)31(39)35(32(40)34(36) 42)51-53(43,44)45/h9,11,13-14,28,31-36,39-42H,3-8,10,12,15-27H2,1-2H3,(H,46,47)( H2,43,44,45)/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](O)C(OP(=O)(O )O)C(O)C1O)COC(CCCCCCCCC)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |