In-Silico Structure database (LMISSD)
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LM ID | LMGP07059ABX |
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Common Name | LPIP[3'](22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0) |
Systematic Name | 1-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoinositol-3- phosphate |
Synonyms | - |
Exact Mass | |
Formula | C31H50O15P2 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoinositol monophosphates [GP07] |
Sub Class | Monoacylglycerophosphoinositol monophosphates [GP0705] |
PubChem Compound ID (CID) | - |
InChIKey | MBZMXHIJPLJMDG-VWHRIHFXSA-N |
InChI | InChI=1S/C31H50O15P2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(3 3)43-22-24(32)23-44-48(41,42)46-31-28(36)26(34)27(35)30(29(31)37)45-47(38,39)40/ h3-4,6-7,9-10,12-13,15-16,18-19,24,26-32,34-37H,2,5,8,11,14,17,20-23H2,1H3,(H,41 ,42)(H2,38,39,40)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-/t24-,26?,27?,28?,29?,30- ,31+/m1/s1 |
SMILES | [C@]([H])(O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(O)C(O)C1O)COC(CC/C=CC/C=CC /C=CC/C=CC/C=CC/C=CCC)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |