trioxilin B3(1-) (Q27147635)

trioxilin B3 anion (English)

8 October 2016

chemical formula

C₂₀H₃₃O₅⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

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

1 reference

trioxilin B3 anion (English)

8 October 2016

isomeric SMILES

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

1 reference

trioxilin B3 anion (English)

InChI=1S/C20H34O5/c1-2-3-4-5-8-11-14-17(21)20(25)18(22)15-12-9-6-7-10-13-16-19(23)24/h6-8,11-12,15,17-18,20-22,25H,2-5,9-10,13-14,16H2,1H3,(H,23,24)/p-1/b7-6-,11-8-,15-12-/t17-,18?,20+/m1/s1

8 October 2016

Identifiers

InChI

1 reference

trioxilin B3 anion (English)

GOHNIXDAQODZKP-OZPSOFALSA-M

8 October 2016

InChIKey

2 references

trioxilin B3 anion (English)

8 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(5Z,8Z,11S,12R,14Z)-10,11,12-Trihydroxy-5,8,14-icosatrienoate (English)

8 October 2016

1 reference

trioxilin B3 anion (English)

8 October 2016

ChEBI ID

78099

mapping relation type

2 references

trioxilin B3(1-) (English)

matched by identifier from

8 October 2016

International Chemical Identifier

InChI

InChI=1S/C20H34O5/c1-2-3-4-5-8-11-14-17(21)20(25)18(22)15-12-9-6-7-10-13-16-19(23)24/h6-8,11-12,15,17-18,20-22,25H,2-5,9-10,13-14,16H2,1H3,(H,23,24)/p-1/b7-6-,11-8-,15-12-/t17-,18?,20+/m1/s1

1 reference

2 references

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