(Q27161490)

(2R)-3-[(Hydroxy{[(1s,3R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl)oxy]-2-(palmitoyloxy)propyl (7Z,10Z,13Z,16Z)-7,10,13,16-docosatetraenoate (English)

9 October 2016

chemical formula

C₄₇H₈₃O₁₃P

0 references

canonical SMILES

CCCCCC(=C(CC(=C(CC(=C(CC(=C(CCCCCC(=O)OCC(COP(O)(=O)OC1(C(C(C(C(C1(O)[H])(O)[H])(O)[H])(O)[H])(O)[H])[H])(OC(CCCCCCCCCCCCCCC)=O)[H])[H])[H])[H])[H])[H])[H])[H])[H]

1 reference

PI(22:4(7Z,10Z,13Z,16Z)/16:0) (English)

9 October 2016

isomeric SMILES

CCCCC\C(=C(/C\C(=C(/C\C(=C(/C\C(=C(/CCCCCC(=O)OC[C@](COP(O)(=O)O[C@@]1(C([C@@](C(C(C1(O)[H])(O)[H])(O)[H])(O)[H])(O)[H])[H])(OC(CCCCCCCCCCCCCCC)=O)[H])\[H])\[H])\[H])\[H])\[H])\[H])\[H])\[H]

1 reference

PI(22:4(7Z,10Z,13Z,16Z)/16:0) (English)

InChI=1S/C47H83O13P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-25-27-29-31-33-35-40(48)57-37-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)59-41(49)36-34-32-30-28-26-23-16-14-12-10-8-6-4-2/h11,13,17-18,20-21,24-25,39,42-47,50-54H,3-10,12,14-16,19,22-23,26-38H2,1-2H3,(H,55,56)/b13-11-,18-17-,21-20-,25-24-/t39-,42?,43-,44?,45?,46?,47-/m1/s1

9 October 2016

Identifiers

InChI

1 reference

PI(22:4(7Z,10Z,13Z,16Z)/16:0) (English)

BRQUDGADXJYXCW-AJBVXFDOSA-N

9 October 2016

InChIKey

2 references

PI(22:4(7Z,10Z,13Z,16Z)/16:0) (English)

9 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(2R)-3-[(Hydroxy{[(1s,3R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl)oxy]-2-(palmitoyloxy)propyl (7Z,10Z,13Z,16Z)-7,10,13,16-docosatetraenoate (English)

9 October 2016

ChEBI ID

89303

mapping relation type

1 reference