(5Z,9E,14Z)-(8xi,11R,12S)-11,12-epoxy-8-hydroxyicosa-5,9,14-trienoate (Q27124694)

(5Z,9E,14Z)-(8xi,11R,12S)-11,12-Epoxy-8-hydroxyicosa-5,9,14-trienoate (English)

6 October 2016

chemical formula

C₂₀H₃₁O₄⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CCCCCC=CCC1C(O1)C=CC(CC=CCCCC(=O)[O-])O

1 reference

(5Z,9E,14Z)-(8xi,11R,12S)-11,12-Epoxy-8-hydroxyicosa-5,9,14-trienoate (English)

6 October 2016

isomeric SMILES

CCCCC/C=C\C[C@H]1[C@H](O1)/C=C/C(C/C=C\CCCC(=O)[O-])O

1 reference

(5Z,9E,14Z)-(8xi,11R,12S)-11,12-Epoxy-8-hydroxyicosa-5,9,14-trienoate (English)

InChI=1S/C20H32O4/c1-2-3-4-5-6-10-13-18-19(24-18)16-15-17(21)12-9-7-8-11-14-20(22)23/h6-7,9-10,15-19,21H,2-5,8,11-14H2,1H3,(H,22,23)/p-1/b9-7-,10-6-,16-15+/t17?,18-,19+/m0/s1

6 October 2016

Identifiers

InChI

1 reference

(5Z,9E,14Z)-(8xi,11R,12S)-11,12-Epoxy-8-hydroxyicosa-5,9,14-trienoate (English)

SGTUOBURCVMACZ-CIQDQOFUSA-M

6 October 2016

InChIKey

2 references

(5Z,9E,14Z)-(8xi,11R,12S)-11,12-Epoxy-8-hydroxyicosa-5,9,14-trienoate (English)

6 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(5Z,9E)-8-Hydroxy-10-{(2R,3S)-3-[(2Z)-2-octen-1-yl]-2-oxiranyl}-5,9-decadienoate (English)

6 October 2016

2 references

(5Z,9E,14Z)-(8xi,11R,12S)-11,12-Epoxy-8-hydroxyicosa-5,9,14-trienoate (English)

matched by identifier from

6 October 2016

InChIKey

SGTUOBURCVMACZ-CIQDQOFUSA-M

ChEBI ID

57449

mapping relation type

2 references

(5Z,9E,14Z)-(8xi,11R,12S)-11,12-epoxy-8-hydroxyicosa-5,9,14-trienoate (English)