(Q27157406)

1 February 2021

mass

319.22732±0 dalton

1 reference

CHEBI:84024 (English)

9 October 2016

chemical formula

C₂₀H₃₁O₃⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CCCCCC1C(O1)CC=CCC=CCC=CCCCC(=O)[O-]

1 reference

CHEBI:84024 (English)

9 October 2016

isomeric SMILES

CCCCCC1C(O1)C/C=C\C/C=C\C/C=C\CCCC(=O)[O-]

1 reference

CHEBI:84024 (English)

InChI=1S/C20H32O3/c1-2-3-12-15-18-19(23-18)16-13-10-8-6-4-5-7-9-11-14-17-20(21)22/h4,6-7,9-10,13,18-19H,2-3,5,8,11-12,14-17H2,1H3,(H,21,22)/p-1/b6-4-,9-7-,13-10-

9 October 2016

Identifiers

InChI

1 reference

CHEBI:84024 (English)

JBSCUHKPLGKXKH-ILYOTBPNSA-M

9 October 2016

InChIKey

2 references

CHEBI:84024 (English)

9 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(5Z,8Z,11Z)-13-(3-Pentyl-2-oxiranyl)-5,8,11-tridecatrienoate (English)

9 October 2016

2 references

CHEBI:84024 (English)

matched by identifier from

9 October 2016

InChIKey

JBSCUHKPLGKXKH-ILYOTBPNSA-M

ChEBI ID

84024

mapping relation type

2 references

14,15-EET(1-) (English)

matched by identifier from

9 October 2016

International Chemical Identifier

InChI

InChI=1S/C20H32O3/c1-2-3-12-15-18-19(23-18)16-13-10-8-6-4-5-7-9-11-14-17-20(21)22/h4,6-7,9-10,13,18-19H,2-3,5,8,11-12,14-17H2,1H3,(H,21,22)/p-1/b6-4-,9-7-,13-10-

1 reference

2 references

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