In-Silico Structure Database (LMISSD)
Common Name
PIP2[4',5'](P-22:0/15:1(9Z))
Systematic Name
1-(1Z-docosenyl)-2-(9Z-pentadecenoyl)-sn-glycero-3-phosphoinositol-4,5-bisphosphate
LM ID
LMGP08039CEK
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1022.526184
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol bisphosphates [GP08]
1-(1Z-alkenyl),2-acylglycerophosphoinositol bisphosphates [GP0803]
String Representations
InChiKey (Click to copy)
YGBUPWDNPGBMDH-SBCZRWEGSA-N
InChi (Click to copy)
InChI=1S/C46H89O18P3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-59-37-39(61-40(47)35-33-31-29-27-25-16-14-12-10-8-6-4-2)38-60-67(57,58)64-44-41(48)42(49)45(62-65(51,52)53)46(43(44)50)63-66(54,55)56/h12,14,34,36,39,41-46,48-50H,3-11,13,15-33,35,37-38H2,1-2H3,(H,57,58)(H2,51,52,53)(H2,54,55,56)/b14-12-,36-34-/t39-,41?,42+,43?,44-,45?,46?/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCC/C=C\CCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1O)CO/C=C\CCCCCCCCCCCCCCCCCCCC