PIF

(2R)-3-{[(S)-hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dioctanoate



Chemical Component Summary

Name(2R)-3-{[(S)-hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dioctanoate
SynonymsL-ALPHA-D-MYOPHOSPHATIDYLINOSITOL 4-PHOSPHATE; D(+)SN1,2DI-O-OCTANOYLGLYCERYL
Identifiers[(2R)-3-[hydroxy-[(2R,3R,5S,6R)-2,3,5,6-tetrahydroxy-4-phosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-2-octanoyloxy-propyl] octanoate
FormulaC25 H48 O16 P2
Molecular Weight666.587
TypeNON-POLYMER
Isomeric SMILESCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)O)OP(=O)(O)O)O)O)OC(=O)CCCCCCC
InChIInChI=1S/C25H48O16P2/c1-3-5-7-9-11-13-18(26)37-15-17(39-19(27)14-12-10-8-6-4-2)16-38-43(35,36)41-25-22(30)20(28)24(21(29)23(25)31)40-42(32,33)34/h17,20-25,28-31H,3-16H2,1-2H3,(H,35,36)(H2,32,33,34)/t17-,20-,21+,22-,23-,24+,25+/m1/s1
InChIKeySNIQYSSXZJPPEL-LKTRINTESA-N

Chemical Details

Formal Charge0
Atom Count91
Chiral Atom Count5
Bond Count91
Aromatic Bond Count0