(Q27104363)

13-beta-D-Glucosyloxydocosanoate (English)

5 October 2016

chemical formula

C₂₈H₅₃O₈⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CCCCCCCCCC(CCCCCCCCCCCC(=O)[O-])OC1C(C(C(C(O1)CO)O)O)O

1 reference

13-beta-D-Glucosyloxydocosanoate (English)

5 October 2016

isomeric SMILES

CCCCCCCCCC(CCCCCCCCCCCC(=O)[O-])O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O

1 reference

13-beta-D-Glucosyloxydocosanoate (English)

InChI=1S/C28H54O8/c1-2-3-4-5-9-12-15-18-22(35-28-27(34)26(33)25(32)23(21-29)36-28)19-16-13-10-7-6-8-11-14-17-20-24(30)31/h22-23,25-29,32-34H,2-21H2,1H3,(H,30,31)/p-1/t22?,23-,25-,26+,27-,28-/m1/s1

5 October 2016

Identifiers

InChI

1 reference

13-beta-D-Glucosyloxydocosanoate (English)

MVSYTBQOJXSHFZ-SFOFOFCKSA-M

5 October 2016

InChIKey

2 references

13-beta-D-Glucosyloxydocosanoate (English)

5 October 2016

stated in

ChEBI release 2020-09-01

1 reference

13-(beta-D-Glucopyranosyloxy)docosanoate (English)

5 October 2016

1 reference

13-beta-D-Glucosyloxydocosanoate (English)

5 October 2016

ChEBI ID

36487

mapping relation type

1 reference