(Q27115834)

11,14,15-THETA (English)

6 October 2016

chemical formula

C₂₀H₃₄O₅

1 reference

11,14,15-THETA (English)

6 October 2016

canonical SMILES

CCCCCC(C(C=CC(CC=CCC=CCCCC(=O)O)O)O)O

1 reference

11,14,15-THETA (English)

6 October 2016

isomeric SMILES

CCCCCC(C(/C=C/C(C/C=C\C/C=C\CCCC(=O)O)O)O)O

1 reference

11,14,15-THETA (English)

InChI=1S/C20H34O5/c1-2-3-9-13-18(22)19(23)16-15-17(21)12-10-7-5-4-6-8-11-14-20(24)25/h4,6-7,10,15-19,21-23H,2-3,5,8-9,11-14H2,1H3,(H,24,25)/b6-4-,10-7-,16-15+

6 October 2016

Identifiers

InChI

1 reference

11,14,15-THETA (English)

6 October 2016

2 references

11,14,15-THETA (English)

6 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(5Z,8Z,12E)-11,14,15-Trihydroxy-5,8,12-icosatrienoic acid (English)

6 October 2016

2 references

11,14,15-THETA (English)

6 October 2016

ChEBI ID

34131

mapping relation type

2 references

11,14,15-THETA (English)

6 October 2016

International Chemical Identifier

InChI

InChI=1S/C20H34O5/c1-2-3-9-13-18(22)19(23)16-15-17(21)12-10-7-5-4-6-8-11-14-20(24)25/h4,6-7,10,15-19,21-23H,2-3,5,8-9,11-14H2,1H3,(H,24,25)/b6-4-,10-7-,16-15+

1 reference

1 reference

Human Metabolome Database ID

HMDB0004694

2 references

based on heuristic

inferred from InChIKey

1 reference

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

11,14,15-THETA (English)

6 October 2016

1 reference