(9E)-12-hydroxyoctadec-9-enoate (Q27158363)

12-hydroxyelaidate (English)

9 October 2016

chemical formula

C₁₈H₃₃O₃⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CCCCCCC(CC=CCCCCCCCC(=O)[O-])O

1 reference

12-hydroxyelaidate (English)

9 October 2016

isomeric SMILES

CCCCCCC(C/C=C/CCCCCCCC(=O)[O-])O

1 reference

12-hydroxyelaidate (English)

InChI=1S/C18H34O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h9,12,17,19H,2-8,10-11,13-16H2,1H3,(H,20,21)/p-1/b12-9+

9 October 2016

Identifiers

InChI

1 reference

12-hydroxyelaidate (English)

WBHHMMIMDMUBKC-FMIVXFBMSA-M

9 October 2016

InChIKey

2 references

12-hydroxyelaidate (English)

9 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(9E)-12-Hydroxy-9-octadecenoate (English)

9 October 2016

2 references

12-hydroxyelaidate (English)

matched by identifier from

9 October 2016

InChIKey

WBHHMMIMDMUBKC-FMIVXFBMSA-M

ChEBI ID

85152

mapping relation type

2 references

(9E)-12-hydroxyoctadec-9-enoate (English)

matched by identifier from

9 October 2016

International Chemical Identifier

InChI

InChI=1S/C18H34O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h9,12,17,19H,2-8,10-11,13-16H2,1H3,(H,20,21)/p-1/b12-9+

1 reference

2 references

https://www.swisslipids.org/#/downloads