(Q27160286)

(2R)-3-[(Hydroxy{[(1s,3R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl)oxy]-2-(palmitoyloxy)propyl (9Z)-9-hexadecenoate (English)

9 October 2016

chemical formula

C₄₁H₇₇O₁₃P

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CCCCCCC(=C(CCCCCCCC(=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(16:1(9Z)/16:0) (English)

9 October 2016

isomeric SMILES

CCCCCC\C(=C(/CCCCCCCC(=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(16:1(9Z)/16:0) (English)

InChI=1S/C41H77O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(42)51-31-33(32-52-55(49,50)54-41-39(47)37(45)36(44)38(46)40(41)48)53-35(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13,15,33,36-41,44-48H,3-12,14,16-32H2,1-2H3,(H,49,50)/b15-13-/t33-,36?,37-,38?,39?,40?,41-/m1/s1

9 October 2016

Identifiers

InChI

1 reference

PI(16:1(9Z)/16:0) (English)

RNXWIPLNUTUDRT-YHSIYXGOSA-N

9 October 2016

InChIKey

2 references

PI(16:1(9Z)/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 (9Z)-9-hexadecenoate (English)

9 October 2016

ChEBI ID

88425

mapping relation type

1 reference

PI(16:1(9Z)/16:0) (English)

Human Metabolome Database ID

9 October 2016

HMDB0009797

1 reference

based on heuristic

inferred from InChIKey

1 reference

http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download