In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP08039AAW
Common NamePIP2[3',4'](P-16:0/18:1(9E))
Systematic Name1-(1Z-hexadecenyl)-2-(9E-octadecenoyl)-sn-glycero-3-phosphoinositol-3,4-
bisphosphate
SynonymsPIP2[3',4'](P-34:1); PIP2(P-16:0_18:1)
Exact Mass
980.4792 (neutral)    Calculate m/z:
FormulaC43H83O18P3
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoinositol bisphosphates [GP08]
Sub Class1-(1Z-alkenyl),2-acylglycerophosphoinositol bisphosphates [GP0803]
PubChem Compound ID (CID)-
InChIKeyMFGTYISBJPNRBI-SPJGVVCXSA-N
InChIInChI=1S/C43H83O18P3/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-37(44)58-36(
34-56-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)35-57-64(54,55)61-41-38(45)39(
46)42(59-62(48,49)50)43(40(41)47)60-63(51,52)53/h17,19,31,33,36,38-43,45-47H,3-1
6,18,20-30,32,34-35H2,1-2H3,(H,54,55)(H2,48,49,50)(H2,51,52,53)/b19-17+,33-31-/t
36-,38?,39?,40?,41+,42?,43+/m1/s1
SMILES[C@]([H])(OC(CCCCCCC/C=C/CCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(O
P(=O)(O)O)C(O)C1O)CO/C=C\CCCCCCCCCCCCCC
MS Spectra-     
StatusActive (generated by computational methods)