PHOSPHATIDYLINOSITOL 4,5-BISPHOSPHATE

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

Structure Search

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

Molecular Formula	C47H85O19P3
Molecular Weight	1047.0877
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	7 / 7
E/Z Centers	4
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 17:30:05 GMT 2023` Edited by `admin` on `Sat Dec 16 17:30:05 GMT 2023`
Record UNII	5B7FUW76X2
Record Status	`Validated (UNII)`
Record Version

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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