In-Silico Structure Database (LMISSD)

P OH OH O P OH O OH O HO O O H HO O O P O HO HO OH O
Common Name
LPIP2[3',4'](18:2(9Z,11Z)/0:0)
Systematic Name
1-(9Z,11Z-octadecadienoyl)-sn-glycero-3-phosphoinositol-3,4-bisphosphate
LM ID
LMGP08049AA2
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
756.228834
Formula
C27H51O18P3
Download as...
MDLMOL SDF CSV TSV PNG
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Main

Classification

Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol bisphosphates [GP08]
Monoacylglycerophosphoinositol bisphosphates [GP0804]

String Representations

InChiKey (Click to copy)
CXRIEVUKJNHTTA-PHHXOXJXSA-N
InChi (Click to copy)
InChI=1S/C27H51O18P3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(29)41-18-20(28)19-42-48(39,40)45-25-22(30)23(31)26(43-46(33,34)35)27(24(25)32)44-47(36,37)38/h7-10,20,22-28,30-32H,2-6,11-19H2,1H3,(H,39,40)(H2,33,34,35)(H2,36,37,38)/b8-7-,10-9-/t20-,22?,23?,24?,25+,26?,27+/m1/s1
SMILES (Click to copy)
[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(CCCCCCC/C=CC=C/CCCCCC)=O

References

Other Databases