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CHEBI:78099 - trioxilin B3(1−)

Default Structure
ChEBI IDCHEBI:78099
ChEBI Nametrioxilin B3(1−)
Stars
ASCII Nametrioxilin B3(1-)
DefinitionThe trioxilin anion that is the anion formed from trioxilin B3 by deprotonation of its carboxylic acid moiety; major microspecies present at pH 7.3.
Last Modified2 May 2014
Submitterlaimo
DownloadsMolfile
FormulaC20H33O5
Net Charge-1
Average Mass353.479
Monoisotopic Mass353.23335
SMILESCCCCC/C=C\C[C@@H](O)[C@H](O)C(O)/C=C\C/C=C\CCCC(=O)[O-]
InChIInChI=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
InChIKeyGOHNIXDAQODZKP-OZPSOFALSA-M
ChEBI Ontology
Outgoing Relation(s)
trioxilin B3(1−) (CHEBI:78099) is a trioxilin anion (CHEBI:78415)
trioxilin B3(1−) (CHEBI:78099) is conjugate base of trioxilin B3 (CHEBI:35032)
Incoming Relation(s)
trioxilin B3 (CHEBI:35032) is conjugate acid of trioxilin B3(1−) (CHEBI:78099)
IUPAC Name 
(5Z,8Z,11S,12R,14Z)-10,11,12-trihydroxyicosa-5,8,14-trienoate
Synonyms  Source
(10,11S,12R)-trihydroxy-(5Z,8Z,14Z)-icosatrienoate(1−)SUBMITTER
trioxilin B3 anionChEBI
UniProt Name  Source
(10,11S,12R)-trihydroxy-(5Z,8Z,14Z)-eicosatrienoateUniProt