In-Silico Structure Database (LMISSD)
Common Name
PIP2[4',5'](12:0/30:0)
Systematic Name
1-dodecanoyl-2-triacontanoyl-sn-glycero-3-phosphoinositol-4,5-bisphosphate
LM ID
LMGP08019K3N
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1110.614999
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol bisphosphates [GP08]
Diacylglycerophosphoinositol bisphosphates [GP0801]
String Representations
InChiKey (Click to copy)
JYUDIPDKUGFJFD-VPTPQBTMSA-N
InChi (Click to copy)
InChI=1S/C51H101O19P3/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-32-34-36-38-40-45(53)67-43(41-65-44(52)39-37-35-33-31-12-10-8-6-4-2)42-66-73(63,64)70-49-46(54)47(55)50(68-71(57,58)59)51(48(49)56)69-72(60,61)62/h43,46-51,54-56H,3-42H2,1-2H3,(H,63,64)(H2,57,58,59)(H2,60,61,62)/t43-,46?,47+,48?,49-,50?,51?/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1O)COC(CCCCCCCCCCC)=O