(Q27163076)

5,11-diHETE (English)

9 October 2016

chemical formula

C₂₀H₃₂O₄

1 reference

5,11-diHETE (English)

9 October 2016

canonical SMILES

CCCCCC=CC=CC(CC=CC=CC(CCCC(=O)O)O)O

1 reference

5,11-diHETE (English)

9 October 2016

isomeric SMILES

CCCCC/C=C\C=C\[C@@H](C/C=C\C=C\[C@H](CCCC(=O)O)O)O

1 reference

5,11-diHETE (English)

InChI=1S/C20H32O4/c1-2-3-4-5-6-7-9-13-18(21)14-10-8-11-15-19(22)16-12-17-20(23)24/h6-11,13,15,18-19,21-22H,2-5,12,14,16-17H2,1H3,(H,23,24)/b7-6-,10-8-,13-9+,15-11+/t18-,19+/m0/s1

9 October 2016

Identifiers

InChI

1 reference

5,11-diHETE (English)

GVBURXXHWSCJSI-ZZHGHEOFSA-N

9 October 2016

InChIKey

2 references

5,11-diHETE (English)

9 October 2016

stated in

ChEBI release 2020-09-01

2 references

5,11-diHETE (English)

matched by identifier from

9 October 2016

InChIKey

GVBURXXHWSCJSI-ZZHGHEOFSA-N

Reaxys registry number

20544176

1 reference

5(S),11(R)-DiHETE (English)

9 October 2016

ChEBI ID

91136

mapping relation type

2 references

5(S),11(R)-DiHETE (English)

matched by identifier from

9 October 2016

International Chemical Identifier

InChI

InChI=1S/C20H32O4/c1-2-3-4-5-6-7-9-13-18(21)14-10-8-11-15-19(22)16-12-17-20(23)24/h6-11,13,15,18-19,21-22H,2-5,12,14,16-17H2,1H3,(H,23,24)/b7-6-,10-8-,13-9+,15-11+/t18-,19+/m0/s1

1 reference

Human Metabolome Database ID

HMDB0062615

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

GVBURXXHWSCJSI-ZZHGHEOFSA-N

1 reference

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