(Q27132482)

(5S,8R,9Z,12Z)-5,8-dihydroxyoctadeca-9,12-dienoate (English)

7 October 2016

chemical formula

C₁₈H₃₁O₄⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CCCCCC=CCC=CC(CCC(CCCC(=O)[O-])O)O

1 reference

(5S,8R,9Z,12Z)-5,8-dihydroxyoctadeca-9,12-dienoate (English)

7 October 2016

isomeric SMILES

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

1 reference

(5S,8R,9Z,12Z)-5,8-dihydroxyoctadeca-9,12-dienoate (English)

InChI=1S/C18H32O4/c1-2-3-4-5-6-7-8-9-11-16(19)14-15-17(20)12-10-13-18(21)22/h6-7,9,11,16-17,19-20H,2-5,8,10,12-15H2,1H3,(H,21,22)/p-1/b7-6-,11-9-/t16-,17-/m0/s1

7 October 2016

Identifiers

InChI

1 reference

(5S,8R,9Z,12Z)-5,8-dihydroxyoctadeca-9,12-dienoate (English)

CVXOCQUHJDKXHR-JFKQHRMJSA-M

7 October 2016

InChIKey

2 references

(5S,8R,9Z,12Z)-5,8-dihydroxyoctadeca-9,12-dienoate (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

5(S),8(R)-DiHODE(1-) (English)

7 October 2016

1 reference

(5S,8R,9Z,12Z)-5,8-dihydroxyoctadeca-9,12-dienoate (English)

7 October 2016

ChEBI ID

63217

mapping relation type

1 reference