U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C47H85O19P3
Molecular Weight 1047.0877
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 4
Charge 0

SHOW SMILES / InChI
Structure of PHOSPHATIDYLINOSITOL 4,5-BISPHOSPHATE

SMILES

CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)O[C@@H]1[C@H](O)[C@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@H]1O)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC

InChI

InChIKey=CNWINRVXAYPOMW-FCNJXWMTSA-N
InChI=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)/b13-11-,19-17-,24-22-,30-28-/t39-,42-,43+,44+,45-,46-,47-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
PHOSPHATIDYLINOSITOL 4,5-BISPHOSPHATE
Common Name English
D-MYO-INOSITOL, 4,5-BIS(DIHYDROGEN PHOSPHATE) 1-((2R)-2-(((5Z,8Z,11Z,14Z)-1-OXO-5,8,11,14-EICOSATETRAEN-1-YL)OXY)-3-((1-OXOOCTADECYL)OXY)PROPYL HYDROGEN PHOSPHATE)
Systematic Name English
[(2R)-1-[hydroxy-[(1R,2R,3S,4R,5R,6S)-2,3,6-trihydroxy-4,5-diphosphonooxycyclohexyl]oxyphosphoryl]oxy-3-octadecanoyloxypropan-2-yl](5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
Systematic Name English
L-alpha-Phosphatidylinositol-4,5-bisphosphate
Common Name English
D-MYO-INOSITOL, 4,5-BIS(DIHYDROGEN PHOSPHATE) 1-((2R)-2-(((5Z,8Z,11Z,14Z)-1-OXO-5,8,11,14-EICOSATETRAENYL)OXY)-3-((1-OXOOCTADECYL)OXY)PROPYL HYDROGEN PHOSPHATE)
Systematic Name English
1-STEAROYL-2-ARACHIDONOYL-SN-GLYCERO-3-PHOSPHOINOSITOL-4,5-BISPHOSPHATE
Systematic Name English
Code System Code Type Description
FDA UNII
5B7FUW76X2
Created by admin on Sat Dec 16 17:30:05 GMT 2023 , Edited by admin on Sat Dec 16 17:30:05 GMT 2023
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PUBCHEM
5497157
Created by admin on Sat Dec 16 17:30:05 GMT 2023 , Edited by admin on Sat Dec 16 17:30:05 GMT 2023
PRIMARY
WIKIPEDIA
Phosphatidylinositol 4,5-bisphosphate
Created by admin on Sat Dec 16 17:30:05 GMT 2023 , Edited by admin on Sat Dec 16 17:30:05 GMT 2023
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EPA CompTox
DTXSID10420578
Created by admin on Sat Dec 16 17:30:05 GMT 2023 , Edited by admin on Sat Dec 16 17:30:05 GMT 2023
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CAS
245126-95-8
Created by admin on Sat Dec 16 17:30:05 GMT 2023 , Edited by admin on Sat Dec 16 17:30:05 GMT 2023
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