CHEBI:35032 - trioxilin B3

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name trioxilin B3
ChEBI ID CHEBI:35032
ChEBI ASCII Name trioxilin B3
Definition A trioxilin having (all-cis 5,8,14) double bond configuration; and 10-, (11S)- and (12R)-hydroxy substituents.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information No supplier information found for this compound.
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Formula C20H34O5
Net Charge 0
Average Mass 354.48096
Monoisotopic Mass 354.24062
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)/b7-6-,11-8-,15-12-/t17-,18?,20+/m1/s1
InChIKey GOHNIXDAQODZKP-OZPSOFALSA-N
SMILES CCCCC\C=C/C[C@@H](O)[C@H](O)C(O)\C=C/C\C=C/CCCC(O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 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 Sources
(5Z,8Z,14Z)-(11S,12R)-10,11,12-Trihydroxyeicosa-5,8,14-trienoic acid KEGG COMPOUND
(5Z,8Z,14Z)-(11S,12R)-10,11,12-Trihydroxyicosa-5,8,14-trienoic acid KEGG COMPOUND
10,11S,12R-triOH all-cis-5,8,14-20:3 ChEBI
10,11S,12R-triOH all-cis-5,8,14-C20:3 ChEBI
Trioxilin B3 KEGG COMPOUND
troxilin B3 ChEBI
Manual Xrefs Databases
C14811 KEGG COMPOUND
LMFA03090004 LIPID MAPS
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Last Modified
02 May 2014