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CHEBI:232300 - phosphatidylinositol 4,5-bisphosphate

Default Structure
ChEBI IDCHEBI:232300
ChEBI Namephosphatidylinositol 4,5-bisphosphate
Stars
SubmitterFlyBase
DownloadsMolfile
FormulaC47H80O19P3
Net Charge-5
Average Mass1042.060
Monoisotopic Mass1041.45341
SMILES[H]/C(CCCCC)=C(\[H])C/C([H])=C(/[H])C/C([H])=C(/[H])C/C([H])=C(/[H])CCCC(=O)OC([H])(COC(=O)CCCCCCCCCCCCCCCCC)COP(=O)([O-])O[C@@]1([H])[C@]([H])(O)[C@@]([H])(OP(=O)([O-])[O-])[C@]([H])(OP(=O)([O-])[O-])[C@@]([H])(O)[C@@]1([H])O
InChIInChI=1S/C47H85O19P3/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)63-39(37-61-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)38-62-69(59,60)66-45-42(50)43(51)46(64-67(53,54)55)47(44(45)52)65-68(56,57)58/h11,13,17,19,22,24,28,30,39,42-47,50-52H,3-10,12,14-16,18,20-21,23,25-27,29,31-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58)/p-5/b13-11-,19-17-,24-22-,30-28-/t39?,42-,43+,44+,45-,46-,47-/m1/s1
InChIKeyCNWINRVXAYPOMW-WJUYXORRSA-I
ChEBI Ontology
Outgoing Relation(s)
phosphatidylinositol 4,5-bisphosphate (CHEBI:232300) is a organic molecular entity (CHEBI:50860)
Synonym  Source
PtdInsP2SUBMITTER
Manual XrefsDatabases
YMDB00133YMDB