(Q27147524)

CHEBI:77913 (English)

8 October 2016

chemical formula

C₂₀H₃₁O₄⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CCCCCC=CCC=CCC(C=CC=CCCCC(=O)[O-])OO

1 reference

CHEBI:77913 (English)

8 October 2016

isomeric SMILES

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

1 reference

CHEBI:77913 (English)

InChI=1S/C20H32O4/c1-2-3-4-5-6-7-8-10-13-16-19(24-23)17-14-11-9-12-15-18-20(21)22/h6-7,9-11,13-14,17,19,23H,2-5,8,12,15-16,18H2,1H3,(H,21,22)/p-1/b7-6-,11-9-,13-10-,17-14+/t19-/m1/s1

8 October 2016

Identifiers

InChI

1 reference

CHEBI:77913 (English)

LIYCOTUUWOESJK-AZFZJQGOSA-M

8 October 2016

InChIKey

2 references

CHEBI:77913 (English)

8 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(5Z,7E,9R,11Z,14Z)-9-Hydroperoxy-5,7,11,14-icosatetraenoate (English)

8 October 2016

2 references

CHEBI:77913 (English)

matched by identifier from

8 October 2016

InChIKey

LIYCOTUUWOESJK-AZFZJQGOSA-M

ChEBI ID

77913

mapping relation type

2 references

9(R)-HPETE(1-) (English)

matched by identifier from

8 October 2016

International Chemical Identifier

InChI

InChI=1S/C20H32O4/c1-2-3-4-5-6-7-8-10-13-16-19(24-23)17-14-11-9-12-15-18-20(21)22/h6-7,9-11,13-14,17,19,23H,2-5,8,12,15-16,18H2,1H3,(H,21,22)/p-1/b7-6-,11-9-,13-10-,17-14+/t19-/m1/s1

1 reference

2 references

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