(Q27127029)

(5Z,7E,9E,14Z,17Z)-icosapentaenoate (English)

6 October 2016

chemical formula

C₂₀H₂₉O₂⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CCC=CCC=CCCCC=CC=CC=CCCCC(=O)[O-]

1 reference

(5Z,7E,9E,14Z,17Z)-icosapentaenoate (English)

6 October 2016

isomeric SMILES

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

1 reference

(5Z,7E,9E,14Z,17Z)-icosapentaenoate (English)

InChI=1S/C20H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,11-16H,2,5,8-10,17-19H2,1H3,(H,21,22)/p-1/b4-3-,7-6-,12-11+,14-13+,16-15-

6 October 2016

Identifiers

InChI

1 reference

(5Z,7E,9E,14Z,17Z)-icosapentaenoate (English)

XGTCGDUVXWLURC-FZNBEQTOSA-M

6 October 2016

InChIKey

2 references

(5Z,7E,9E,14Z,17Z)-icosapentaenoate (English)

6 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(5Z,7E,9E,14Z,17Z)-5,7,9,14,17-Icosapentaenoate (English)

6 October 2016

1 reference

(5Z,7E,9E,14Z,17Z)-icosapentaenoate (English)

6 October 2016

ChEBI ID

60025

mapping relation type

1 reference