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 laimo
Supplier Information No supplier information found for this compound.
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