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CHEBI:138839 - CAY10397

ChEBI IDCHEBI:138839
ChEBI NameCAY10397
Stars
DefinitionA member of the class of azobenzenes that is azobenzene in which one of the phenyl groups is substituted at position 4 by an ethoxycarbonyl group, while the other is substituted by a carboxymethyl group at position 3 and a hydroxy group at position 4. It is a potent and selective inhibitor of 15-hydroxyprostaglandin dehydrogenase (15-hydroxy-PGDH).
Last Modified13 December 2017
Submittersabrina, zfin
DownloadsMolfile
FormulaC17H16N2O5
Net Charge0
Average Mass328.324
Monoisotopic Mass328.10592
SMILESCCOC(=O)c1ccc(/N=N/c2ccc(O)c(CC(=O)O)c2)cc1
InChIInChI=1S/C17H16N2O5/c1-2-24-17(23)11-3-5-13(6-4-11)18-19-14-7-8-15(20)12(9-14)10-16(21)22/h3-9,20H,2,10H2,1H3,(H,21,22)/b19-18+
InChIKeyYYBSDOZYJSGLTH-VHEBQXMUSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
EC 1.1.1.141 [15-hydroxyprostaglandin dehydrogenase (NAD(+))] inhibitor  An EC 1.1.1.* (oxidoreductase acting on donor CH-OH group, NAD+ or NADP+ acceptor) inhibitor that interferes with the action of 15-hydroxyprostaglandin dehydrogenase (NAD+) (EC 1.1.1.141).
ChEBI Ontology
Outgoing Relation(s)
CAY10397 (CHEBI:138839) has role EC 1.1.1.141 [15-hydroxyprostaglandin dehydrogenase (NAD+)] inhibitor (CHEBI:77108)
CAY10397 (CHEBI:138839) is a azobenzenes (CHEBI:22682)
CAY10397 (CHEBI:138839) is a dicarboxylic acid monoester (CHEBI:36244)
CAY10397 (CHEBI:138839) is a ethyl ester (CHEBI:23990)
CAY10397 (CHEBI:138839) is a phenols (CHEBI:33853)
IUPAC Name 
(5-{(E)-[4-(ethoxycarbonyl)phenyl]diazenyl}-2-hydroxyphenyl)acetic acid
Synonym  Source
CK47ASUBMITTER
Manual XrefsDatabases
329775130PubChem Compound
Registry NumbersSources
Reaxys:6873654Reaxys
CAS:78028-01-0SUBMITTER
Citations