10-hydroperoxy-8E-octadecenoate (Q27147347)

10-hydroperoxy-8E-octadecenoate (English)

8 October 2016

chemical formula

C₁₈H₃₃O₄⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CCCCCCCCC(C=CCCCCCCC(=O)[O-])OO

1 reference

10-hydroperoxy-8E-octadecenoate (English)

8 October 2016

isomeric SMILES

CCCCCCCCC(/C=C/CCCCCCC(=O)[O-])OO

1 reference

10-hydroperoxy-8E-octadecenoate (English)

InChI=1S/C18H34O4/c1-2-3-4-5-8-11-14-17(22-21)15-12-9-6-7-10-13-16-18(19)20/h12,15,17,21H,2-11,13-14,16H2,1H3,(H,19,20)/p-1/b15-12+

8 October 2016

Identifiers

InChI

1 reference

10-hydroperoxy-8E-octadecenoate (English)

HTIQDCPWTUODDW-NTCAYCPXSA-M

8 October 2016

InChIKey

2 references

10-hydroperoxy-8E-octadecenoate (English)

8 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(8E)-10-Hydroperoxy-8-octadecenoate (English)

8 October 2016

1 reference

10-hydroperoxy-8E-octadecenoate (English)

8 October 2016

ChEBI ID

77755

mapping relation type

2 references

10-hydroperoxy-8E-octadecenoate (English)

matched by identifier from

8 October 2016

International Chemical Identifier

InChI

InChI=1S/C18H34O4/c1-2-3-4-5-8-11-14-17(22-21)15-12-9-6-7-10-13-16-18(19)20/h12,15,17,21H,2-11,13-14,16H2,1H3,(H,19,20)/p-1/b15-12+

1 reference

2 references

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