CHEBI:78099 - trioxilin B3(1−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name trioxilin B3(1−)
ChEBI ID CHEBI:78099
ChEBI ASCII Name trioxilin B3(1-)
Definition The trioxilin anion that is the anion formed from trioxilin B3 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/c1-2-3-4-5-8-11-14-17(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
InChIKey GOHNIXDAQODZKP-OZPSOFALSA-M
SMILES CCCCC\C=C/C[C@@H](O)[C@H](O)C(O)\C=C/C\C=C/CCCC([O-])=O
ChEBI Ontology
Outgoing 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 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 Sources
(10,11S,12R)-trihydroxy-(5Z,8Z,14Z)-eicosatrienoate UniProt
(10,11S,12R)-trihydroxy-(5Z,8Z,14Z)-icosatrienoate(1−) SUBMITTER
trioxilin B3 anion ChEBI
Last Modified
02 May 2014