1-Stearoyl-2-arachidonoyl-sn-glycero-3-phosphoinositol-4,5-bisphosphate

CAS Registry Number®

245126-95-8
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CAS Name

1-Stearoyl-2-arachidonoyl-sn-glycero-3-phosphoinositol-4,5-bisphosphate

Molecular Formula

C47H85O19P3

Molecular Mass

1047.09

Cite this Page

1-Stearoyl-2-arachidonoyl-sn-glycero-3-phosphoinositol-4,5-bisphosphate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=245126-95-8 (retrieved 2024-03-19) (CAS RN: 245126-95-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=CNWINRVXAYPOMW-FCNJXWMTSA-N

SMILES

O(P(=O)(O)O)[C@H]1[C@H](OP(=O)(O)O)[C@@H](O)[C@@H](O)[C@@H](OP(OC[C@H](OC(CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=O)COC(CCCCCCCCCCCCCCCCC)=O)(=O)O)[C@@H]1O

Canonical SMILES

O=C(OCC(OC(=O)CCCC=CCC=CCC=CCC=CCCCCC)COP(=O)(O)OC1C(O)C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1O)CCCCCCCCCCCCCCCCC

Other Names for this Substance

  • 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]
  • 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]
  • 1-Stearoyl-2-arachidonoyl-sn-glycero-3-phosphoinositol-4,5-bisphosphate
  • Phosphatidylinositol 4,5-bisphosphate (PIP2)

Deleted or Replaced CAS Registry Numbers

596795-20-9, 1299292-16-2

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