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CHEBI:36203 - trioxilin A3

ChEBI IDCHEBI:36203
ChEBI Nametrioxilin A3
Stars
ASCII Nametrioxilin A3
DefinitionA trioxilin having (5Z,9E,14Z) double bond configuration; and 8-, (11R)- and (12S)-hydroxy substituents.
Secondary ChEBI IDsCHEBI:9739, CHEBI:35031
Last Modified2 May 2014
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC20H34O5
Net Charge0
Average Mass354.487
Monoisotopic Mass354.24062
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)/b9-7-,10-6-,16-15+/t17?,18-,19+/m0/s1
InChIKeyWPLPEZUSILBTGP-CIQDQOFUSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
trioxilin A3 (CHEBI:36203) has functional parent (5Z,9E,14Z)-icosa-5,9,14-trienoic acid (CHEBI:36037)
trioxilin A3 (CHEBI:36203) is a trioxilin (CHEBI:36201)
trioxilin A3 (CHEBI:36203) is conjugate acid of trioxilin A3(1−) (CHEBI:78100)
Incoming Relation(s)
trioxilin A3(1−) (CHEBI:78100) is conjugate base of trioxilin A3 (CHEBI:36203)
IUPAC Name 
(5Z,9E,11R,12S,14Z)-8,11,12-trihydroxyicosa-5,9,14-trienoic acid
Synonyms  Source
Trioxilin A3KEGG COMPOUND
(5Z,9E,14Z)-(11R,12S)-8,11,12-Trihydroxyeicosa-5,9,14-trienoic acidKEGG COMPOUND
(5Z,9E,14Z)-(11R,12S)-8,11,12-Trihydroxyicosa-5,9,14-trienoic acidKEGG COMPOUND
8,11,12-TetaChemIDplus
(8,11R,12S)-OH 5c9t14t-C20:3ChEBI
(8,11R,12S)-OH 5c9t14t-20:3ChEBI
Manual XrefsDatabases
C14809KEGG COMPOUND
LMFA03090002LIPID MAPS
Registry NumbersSources
CAS:68860-46-8ChemIDplus
Citations