(Q27124713)

(7S,8S,9Z,12Z)-7,8-dihydroxyoctadeca-9,12-dienoate (English)

6 October 2016

chemical formula

C₁₈H₃₁O₄⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

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

1 reference

(7S,8S,9Z,12Z)-7,8-dihydroxyoctadeca-9,12-dienoate (English)

6 October 2016

isomeric SMILES

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

1 reference

(7S,8S,9Z,12Z)-7,8-dihydroxyoctadeca-9,12-dienoate (English)

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

6 October 2016

Identifiers

InChI

1 reference

(7S,8S,9Z,12Z)-7,8-dihydroxyoctadeca-9,12-dienoate (English)

NMONGVDUESEHOK-MPOZZNMKSA-M

6 October 2016

InChIKey

2 references

(7S,8S,9Z,12Z)-7,8-dihydroxyoctadeca-9,12-dienoate (English)

6 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(7S,8S,9Z,12Z)-7,8-Dihydroxy-9,12-octadecadienoate (English)

6 October 2016

1 reference

(7S,8S,9Z,12Z)-7,8-dihydroxyoctadeca-9,12-dienoate (English)

6 October 2016

ChEBI ID

57468

mapping relation type

1 reference