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CHEBI:35032 - trioxilin B3

ChEBI IDCHEBI:35032
ChEBI Nametrioxilin B3
Stars
ASCII Nametrioxilin B3
DefinitionA trioxilin having (all-cis 5,8,14) double bond configuration; and 10-, (11S)- and (12R)-hydroxy substituents.
Last Modified2 May 2014
DownloadsMolfile
FormulaC20H34O5
Net Charge0
Average Mass354.487
Monoisotopic Mass354.24062
SMILESCCCCC/C=C\C[C@@H](O)[C@H](O)C(O)/C=C\C/C=C\CCCC(=O)O
InChIInChI=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)/b7-6-,11-8-,15-12-/t17-,18?,20+/m1/s1
InChIKeyGOHNIXDAQODZKP-OZPSOFALSA-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 B3 (CHEBI:35032) has functional parent all-cis-icosa-5,8,14-trienoic acid (CHEBI:36202)
trioxilin B3 (CHEBI:35032) is a trioxilin (CHEBI:36201)
trioxilin B3 (CHEBI:35032) is conjugate acid of trioxilin B3(1−) (CHEBI:78099)
Incoming Relation(s)
trioxilin B3(1−) (CHEBI:78099) is conjugate base of trioxilin B3 (CHEBI:35032)
IUPAC Name 
(5Z,8Z,11S,12R,14Z)-10,11,12-trihydroxyicosa-5,8,14-trienoic acid
Synonyms  Source
Trioxilin B3KEGG COMPOUND
(5Z,8Z,14Z)-(11S,12R)-10,11,12-Trihydroxyeicosa-5,8,14-trienoic acidKEGG COMPOUND
(5Z,8Z,14Z)-(11S,12R)-10,11,12-Trihydroxyicosa-5,8,14-trienoic acidKEGG COMPOUND
troxilin B3ChEBI
10,11S,12R-triOH all-cis-5,8,14-C20:3ChEBI
10,11S,12R-triOH all-cis-5,8,14-20:3ChEBI
Manual XrefsDatabases
C14811KEGG COMPOUND
LMFA03090004LIPID MAPS
Citations