(Q27160546)

(2R)-1-[(Hydroxy{[(1s,3R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl)oxy]-3-[(9Z,12Z)-9,12-octadecadienoyloxy]-2-propanyl (13Z,16Z)-13,16-docosadienoate (English)

9 October 2016

chemical formula

C₄₉H₈₇O₁₃P

0 references

canonical SMILES

CCCCCC(=C(CC(=C(CCCCCCCCCCCC(=O)OC(COC(CCCCCCCC(=C(CC(=C(CCCCC)[H])[H])[H])[H])=O)(COP(O)(=O)OC1(C(C(C(C(C1(O)[H])(O)[H])(O)[H])(O)[H])(O)[H])[H])[H])[H])[H])[H])[H]

1 reference

PI(18:2(9Z,12Z)/22:2(13Z,16Z)) (English)

9 October 2016

isomeric SMILES

CCCCC\C(=C(/C\C(=C(/CCCCCCCCCCCC(=O)O[C@](COC(CCCCCCC\C(=C(/C\C(=C(/CCCCC)\[H])\[H])\[H])\[H])=O)(COP(O)(=O)O[C@@]1(C([C@@](C(C(C1(O)[H])(O)[H])(O)[H])(O)[H])(O)[H])[H])[H])\[H])\[H])\[H])\[H]

1 reference

PI(18:2(9Z,12Z)/22:2(13Z,16Z)) (English)

InChI=1S/C49H87O13P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(51)61-41(40-60-63(57,58)62-49-47(55)45(53)44(52)46(54)48(49)56)39-59-42(50)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11-14,17-19,23,41,44-49,52-56H,3-10,15-16,20-22,24-40H2,1-2H3,(H,57,58)/b13-11-,14-12-,19-17-,23-18-/t41-,44?,45-,46?,47?,48?,49-/m1/s1

9 October 2016

Identifiers

InChI

1 reference

PI(18:2(9Z,12Z)/22:2(13Z,16Z)) (English)

SUMPVXIOAXRBIM-VYAQFWOSSA-N

9 October 2016

InChIKey

2 references

PI(18:2(9Z,12Z)/22:2(13Z,16Z)) (English)

9 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(2R)-1-[(Hydroxy{[(1s,3R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl)oxy]-3-[(9Z,12Z)-9,12-octadecadienoyloxy]-2-propanyl (13Z,16Z)-13,16-docosadienoate (English)

9 October 2016

ChEBI ID

88661

mapping relation type

1 reference