In-Silico Structure database (LMISSD)
| |
LM ID | LMGP08049ABH |
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Common Name | LPIP2[3',4'](20:3(8Z,11Z,14Z)/0:0) |
Systematic Name | 1-(8Z,11Z,14Z-eicosatrienoyl)-sn-glycero-3-phosphoinositol-3,4-bisphosphate |
Synonyms | - |
Exact Mass | |
Formula | C29H53O18P3 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoinositol bisphosphates [GP08] |
Sub Class | Monoacylglycerophosphoinositol bisphosphates [GP0804] |
PubChem Compound ID (CID) | - |
InChIKey | ITDLZOWMUUNGAV-OBTOYHFFSA-N |
InChI | InChI=1S/C29H53O18P3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(31)43-2 0-22(30)21-44-50(41,42)47-27-24(32)25(33)28(45-48(35,36)37)29(26(27)34)46-49(38, 39)40/h6-7,9-10,12-13,22,24-30,32-34H,2-5,8,11,14-21H2,1H3,(H,41,42)(H2,35,36,37 )(H2,38,39,40)/b7-6-,10-9-,13-12-/t22-,24?,25?,26?,27+,28?,29+/m1/s1 |
SMILES | [C@]([H])(O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(OP(=O)(O)O)C(O)C1O)COC(CCC CCC/C=CC/C=CC/C=CCCCCC)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |