(Q27160448)

(2R)-2-[(9Z)-9-Hexadecenoyloxy]-3-[(hydroxy{[(1s,3R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl)oxy]propyl stearate (English)

9 October 2016

chemical formula

C₄₃H₈₁O₁₃P

0 references

canonical SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(COP(O)(=O)OC1(C(C(C(C(C1(O)[H])(O)[H])(O)[H])(O)[H])(O)[H])[H])(OC(CCCCCCCC(=C(CCCCCC)[H])[H])=O)[H]

1 reference

PI(18:0/16:1(9Z)) (English)

9 October 2016

isomeric SMILES

CCCCCCCCCCCCCCCCCC(=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(CCCCCCC\C(=C(/CCCCCC)\[H])\[H])=O)[H]

1 reference

PI(18:0/16:1(9Z)) (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/h14,16,35,38-43,46-50H,3-13,15,17-34H2,1-2H3,(H,51,52)/b16-14-/t35-,38?,39-,40?,41?,42?,43-/m1/s1

9 October 2016

Identifiers

InChI

1 reference

PI(18:0/16:1(9Z)) (English)

QMAMEGDTQPWOEM-FVTXIWCXSA-N

9 October 2016

InChIKey

2 references

PI(18:0/16:1(9Z)) (English)

9 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(2R)-2-[(9Z)-9-Hexadecenoyloxy]-3-[(hydroxy{[(1s,3R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl)oxy]propyl stearate (English)

9 October 2016

ChEBI ID

88557

mapping relation type

1 reference

PI(18:0/16:1(9Z)) (English)

Human Metabolome Database ID

9 October 2016

HMDB0009806

1 reference

based on heuristic

inferred from InChIKey

1 reference

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