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CHEBI:78100 - trioxilin A3(1−)

ChEBI IDCHEBI:78100
ChEBI Nametrioxilin A3(1−)
Stars
ASCII Nametrioxilin A3(1-)
DefinitionThe trioxilin anion that is the anion formed from trioxilin A3 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=C/C(O)C/C=C\CCCC(=O)[O-]
InChIInChI=1S/C20H34O5/c1-2-3-4-5-6-10-13-18(22)19(23)16-15-17(21)12-9-7-8-11-14-20(24)25/h6-7,9-10,15-19,21-23H,2-5,8,11-14H2,1H3,(H,24,25)/p-1/b9-7-,10-6-,16-15+/t17?,18-,19+/m0/s1
InChIKeyWPLPEZUSILBTGP-CIQDQOFUSA-M
ChEBI Ontology
Outgoing Relation(s)
trioxilin A3(1−) (CHEBI:78100) is a trioxilin anion (CHEBI:78415)
trioxilin A3(1−) (CHEBI:78100) is conjugate base of trioxilin A3 (CHEBI:36203)
Incoming Relation(s)
trioxilin A3 (CHEBI:36203) is conjugate acid of trioxilin A3(1−) (CHEBI:78100)
IUPAC Name 
(5Z,9E,11R,12S,14Z)-8,11,12-trihydroxyicosa-5,9,14-trienoate
Synonyms  Source
(8,11R,12S)-trihydroxy-(5Z,9E,14Z)-icosatrienoate(1−)SUBMITTER
trioxilin A3 anionChEBI
UniProt Name  Source
(8,11R,12S)-trihydroxy-(5Z,9E,14Z)-eicosatrienoateUniProt