(Q27104357)

1 February 2021

mass

291.19602±0 dalton

1 reference

(9Z,13S,15Z)-12,13-epoxyoctadeca-9,11,15-trienoate (English)

5 October 2016

chemical formula

C₁₈H₂₇O₃⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CCC=CCC1C(=CC=CCCCCCCCC(=O)[O-])O1

1 reference

(9Z,13S,15Z)-12,13-epoxyoctadeca-9,11,15-trienoate (English)

5 October 2016

isomeric SMILES

CC/C=C\C[C@H]1C(=C/C=C\CCCCCCCC(=O)[O-])O1

1 reference

(9Z,13S,15Z)-12,13-epoxyoctadeca-9,11,15-trienoate (English)

InChI=1S/C18H28O3/c1-2-3-10-13-16-17(21-16)14-11-8-6-4-5-7-9-12-15-18(19)20/h3,8,10-11,14,16H,2,4-7,9,12-13,15H2,1H3,(H,19,20)/p-1/b10-3-,11-8-,17-14?/t16-/m0/s1

5 October 2016

Identifiers

InChI

1 reference

(9Z,13S,15Z)-12,13-epoxyoctadeca-9,11,15-trienoate (English)

YZBZORUZOSCZRN-YWHLHSFDSA-M

5 October 2016

InChIKey

2 references

(9Z,13S,15Z)-12,13-epoxyoctadeca-9,11,15-trienoate (English)

5 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(9Z)-11-{(3S)-3-[(2Z)-2-Penten-1-yl]-2-oxiranylidene}-9-undecenoate (English)

5 October 2016

1 reference

(9Z,13S,15Z)-12,13-epoxyoctadeca-9,11,15-trienoate (English)

5 October 2016

ChEBI ID

36438

mapping relation type

1 reference