9-hydroperoxy-10E-octadecenoate (Q27147345)

9-hydroperoxy-10E-octadecenoate (English)

8 October 2016

chemical formula

C₁₈H₃₃O₄⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CCCCCCCC=CC(CCCCCCCC(=O)[O-])OO

1 reference

9-hydroperoxy-10E-octadecenoate (English)

8 October 2016

isomeric SMILES

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

1 reference

9-hydroperoxy-10E-octadecenoate (English)

InChI=1S/C18H34O4/c1-2-3-4-5-6-8-11-14-17(22-21)15-12-9-7-10-13-16-18(19)20/h11,14,17,21H,2-10,12-13,15-16H2,1H3,(H,19,20)/p-1/b14-11+

8 October 2016

Identifiers

InChI

1 reference

9-hydroperoxy-10E-octadecenoate (English)

DIKRZYGTMAMIKZ-SDNWHVSQSA-M

8 October 2016

InChIKey

2 references

9-hydroperoxy-10E-octadecenoate (English)

8 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(10E)-9-Hydroperoxy-10-octadecenoate (English)

8 October 2016

2 references

9-hydroperoxy-10E-octadecenoate (English)

matched by identifier from

8 October 2016

InChIKey

DIKRZYGTMAMIKZ-SDNWHVSQSA-M

ChEBI ID

77754

mapping relation type

2 references

9-hydroperoxy-10E-octadecenoate (English)

matched by identifier from

8 October 2016

International Chemical Identifier

InChI

InChI=1S/C18H34O4/c1-2-3-4-5-6-8-11-14-17(22-21)15-12-9-7-10-13-16-18(19)20/h11,14,17,21H,2-10,12-13,15-16H2,1H3,(H,19,20)/p-1/b14-11+

1 reference

2 references

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