(Q27126026)

1 February 2021

mass

309.207±0 dalton

1 reference

13S-hydroperoxy-9(Z),11(E),15(Z)-octadecatrienoic acid (English)

(9Z,11E,13R,15Z)-13-hydroperoxyoctadecatrienoate

6 October 2016

stereoisomer of

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₁₈H₂₉O₄⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CCC=CCC(C=CC=CCCCCCCCC(=O)[O-])OO

1 reference

13S-hydroperoxy-9(Z),11(E),15(Z)-octadecatrienoic acid (English)

6 October 2016

isomeric SMILES

CC/C=C\C[C@@H](/C=C/C=C\CCCCCCCC(=O)[O-])OO

1 reference

13S-hydroperoxy-9(Z),11(E),15(Z)-octadecatrienoic acid (English)

InChI=1S/C18H30O4/c1-2-3-11-14-17(22-21)15-12-9-7-5-4-6-8-10-13-16-18(19)20/h3,7,9,11-12,15,17,21H,2,4-6,8,10,13-14,16H2,1H3,(H,19,20)/p-1/b9-7-,11-3-,15-12+/t17-/m0/s1

6 October 2016

Identifiers

InChI

1 reference

13S-hydroperoxy-9(Z),11(E),15(Z)-octadecatrienoic acid (English)

UYQGVDXDXBAABN-FQSPHKRJSA-M

6 October 2016

InChIKey

2 references

13S-hydroperoxy-9(Z),11(E),15(Z)-octadecatrienoic acid (English)

6 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(9Z,11E,13S,15Z)-13-Hydroperoxy-9,11,15-octadecatrienoate (English)

6 October 2016

1 reference

13S-hydroperoxy-9(Z),11(E),15(Z)-octadecatrienoic acid (English)

6 October 2016

ChEBI ID

58757

mapping relation type

1 reference