(Q27146853)

(2R)-1-[(Hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl)oxy]-3-(stearoyloxy)-2-propanyl (5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoate (English)

19 October 2016

chemical formula

C₄₇H₈₄O₁₆P₂

1 reference

stated in

RCSB protein data bank

PDB ligand ID

2Y5

16 February 2021

canonical SMILES

CCCCCC(=C(CC(=C(CC(=C(CC(=C(CCCC(=O)OC(COC(CCCCCCCCCCCCCCCCC)=O)(COP(O)(=O)OC1(C(C(C(C(C1(O)[H])(O)[H])(OP(O)(O)=O)[H])(O)[H])(O)[H])[H])[H])[H])[H])[H])[H])[H])[H])[H])[H]

1 reference

1-stearoyl-2-arachidonoyl-sn-glycero-3-phospho-1D-myo-inositol 4-phosphate (English)

19 October 2016

isomeric SMILES

CCCCC\C(=C(/C\C(=C(/C\C(=C(/C\C(=C(/CCCC(=O)O[C@](COC(CCCCCCCCCCCCCCCCC)=O)(COP(O)(=O)O[C@]1([C@@]([C@]([C@@]([C@]([C@]1(O)[H])(O)[H])(OP(O)(O)=O)[H])(O)[H])(O)[H])[H])[H])\[H])\[H])\[H])\[H])\[H])\[H])\[H])\[H]

1 reference

1-stearoyl-2-arachidonoyl-sn-glycero-3-phospho-1D-myo-inositol 4-phosphate (English)

InChI=1S/C47H84O16P2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)61-39(37-59-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)38-60-65(57,58)63-47-44(52)42(50)46(43(51)45(47)53)62-64(54,55)56/h11,13,17,19,22,24,28,30,39,42-47,50-53H,3-10,12,14-16,18,20-21,23,25-27,29,31-38H2,1-2H3,(H,57,58)(H2,54,55,56)/b13-11-,19-17-,24-22-,30-28-/t39-,42-,43+,44-,45-,46+,47+/m1/s1

19 October 2016

Identifiers

InChI

1 reference

1-stearoyl-2-arachidonoyl-sn-glycero-3-phospho-1D-myo-inositol 4-phosphate (English)

ROKMWIUSHIHOGI-BWTMTLBLSA-N

19 October 2016

InChIKey

2 references

1-stearoyl-2-arachidonoyl-sn-glycero-3-phospho-1D-myo-inositol 4-phosphate (English)

19 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(2R)-1-[(Hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl)oxy]-3-(stearoyloxy)-2-propanyl (5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoate (English)

19 October 2016

ChEBI ID

77271

mapping relation type

2 references