(Q27162780)

17R-hydroxydocosahexaenoate (English)

9 October 2016

chemical formula

C₂₂H₃₁O₃⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CCC=CCC(C=CC=CCC=CCC=CCC=CCCC(=O)[O-])O

1 reference

17R-hydroxydocosahexaenoate (English)

9 October 2016

isomeric SMILES

CC/C=C\C[C@H](/C=C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)[O-])O

1 reference

17R-hydroxydocosahexaenoate (English)

InChI=1S/C22H32O3/c1-2-3-15-18-21(23)19-16-13-11-9-7-5-4-6-8-10-12-14-17-20-22(24)25/h3,5-8,11-16,19,21,23H,2,4,9-10,17-18,20H2,1H3,(H,24,25)/p-1/b7-5-,8-6-,13-11-,14-12-,15-3-,19-16+/t21-/m1/s1

9 October 2016

Identifiers

InChI

1 reference

17R-hydroxydocosahexaenoate (English)

SWTYBBUBEPPYCX-NGHKTGSUSA-M

9 October 2016

InChIKey

2 references

17R-hydroxydocosahexaenoate (English)

9 October 2016

stated in

ChEBI release 2020-09-01

2 references

17R-hydroxydocosahexaenoate (English)

matched by identifier from

9 October 2016

InChIKey

SWTYBBUBEPPYCX-NGHKTGSUSA-M

ChEBI ID

90814

mapping relation type

2 references

17(R)-HDoHE(1-) (English)

matched by identifier from

9 October 2016

International Chemical Identifier

InChI

InChI=1S/C22H32O3/c1-2-3-15-18-21(23)19-16-13-11-9-7-5-4-6-8-10-12-14-17-20-22(24)25/h3,5-8,11-16,19,21,23H,2,4,9-10,17-18,20H2,1H3,(H,24,25)/p-1/b7-5-,8-6-,13-11-,14-12-,15-3-,19-16+/t21-/m1/s1

1 reference

2 references

https://www.swisslipids.org/#/downloads