CHEBI:78100 - trioxilin A3(1−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name trioxilin A3(1−)
ChEBI ID CHEBI:78100
ChEBI ASCII Name trioxilin A3(1-)
Definition The trioxilin anion that is the anion formed from trioxilin A3 by deprotonation of its carboxylic acid moiety; major microspecies present at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Lucila Aimo
Supplier Information
Download Molfile XML SDF
Formula C20H33O5
Net Charge -1
Average Mass 353.47360
Monoisotopic Mass 353.23335
InChI InChI=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
InChIKey WPLPEZUSILBTGP-CIQDQOFUSA-M
SMILES CCCCC\C=C/C[C@H](O)[C@H](O)\C=C\C(O)C\C=C/CCCC([O-])=O
ChEBI Ontology
Outgoing 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 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 Sources
(8,11R,12S)-trihydroxy-(5Z,9E,14Z)-eicosatrienoate UniProt
(8,11R,12S)-trihydroxy-(5Z,9E,14Z)-icosatrienoate(1−) SUBMITTER
trioxilin A3 anion ChEBI
Last Modified
02 May 2014