(Q27160495)

(2R)-3-[(Hydroxy{[(1s,3R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl)oxy]-2-(palmitoyloxy)propyl (11Z)-11-octadecenoate (English)

9 October 2016

chemical formula

C₄₃H₈₁O₁₃P

0 references

canonical SMILES

CCCCCCC(=C(CCCCCCCCCC(=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]

1 reference

PI(18:1(11Z)/16:0) (English)

9 October 2016

isomeric SMILES

CCCCCC\C(=C(/CCCCCCCCCC(=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]

1 reference

PI(18:1(11Z)/16:0) (English)

InChI=1S/C43H81O13P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-36(44)53-33-35(34-54-57(51,52)56-43-41(49)39(47)38(46)40(48)42(43)50)55-37(45)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h13,15,35,38-43,46-50H,3-12,14,16-34H2,1-2H3,(H,51,52)/b15-13-/t35-,38?,39-,40?,41?,42?,43-/m1/s1

9 October 2016

Identifiers

InChI

1 reference

PI(18:1(11Z)/16:0) (English)

BMGNJDVZBKRPAW-YXPBIPRFSA-N

9 October 2016

InChIKey

2 references

PI(18:1(11Z)/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 (11Z)-11-octadecenoate (English)

9 October 2016

ChEBI ID

88606

mapping relation type

1 reference

PI(18:1(11Z)/16:0) (English)