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trioxilin A3 (CHEBI:36203)

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ChEBI Name trioxilin A3
ChEBI ID CHEBI:36203
ChEBI ASCII Name trioxilin A3
Definition A trioxilin having (5Z,9E,14Z) double bond configuration; and 8-, (11R)- and (12S)-hydroxy substituents.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:9739, CHEBI:35031
Supplier Information
See structure as:  Image  Applet
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Formula Source
C20H34O5 KEGG COMPOUND
Net Charge 0
Average Mass 354.48096
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)/b9-7-,10-6-,16-15+/t17?,18-,19+/m0/s1
InChIKey
WPLPEZUSILBTGP-CIQDQOFUSA-N
SMILES
CCCCC\C=C/C[C@H](O)[C@H](O)\C=C\C(O)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 on the ChEBI Ontology
ChEBI Ontology
Outgoing 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 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 Sources
(5Z,9E,14Z)-(11R,12S)-8,11,12-Trihydroxyeicosa-5,9,14-trienoic acid KEGG COMPOUND
(5Z,9E,14Z)-(11R,12S)-8,11,12-Trihydroxyicosa-5,9,14-trienoic acid KEGG COMPOUND
(8,11R,12S)-OH 5c9t14t-20:3 ChEBI
(8,11R,12S)-OH 5c9t14t-C20:3 ChEBI
8,11,12-Teta ChemIDplus
8,11R,12S-triOH 5c9t14c-20:3 ChEBI
8,11R,12S-triOH 5c9t14c-C20:3 ChEBI
Trioxilin A3 KEGG COMPOUND
Database Links Databases
C14809 KEGG COMPOUND
LMFA03090002 LIPID MAPS
View more database links
Registry Number Type Source
68860-46-8 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
12909703 PubMed citation CiteXplore
9540966 PubMed citation CiteXplore
General Comment
2011-03-25 The enzymatically formed derivative of hepoxilin A3.
 
Last Modified
02 May 2014

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