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CHEBI:172459 - N-Deschlorobenzoyl indomethacin

ChEBI IDCHEBI:172459
ChEBI NameN-Deschlorobenzoyl indomethacin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H13NO3
Net Charge0
Average Mass219.240
Monoisotopic Mass219.08954
SMILESCOc1ccc2nc(C)c(CC(=O)O)c2c1
InChIInChI=1S/C12H13NO3/c1-7-9(6-12(14)15)10-5-8(16-2)3-4-11(10)13-7/h3-5,13H,6H2,1-2H3,(H,14,15)
InChIKeyTXWGINUZLBAKDF-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
N-Deschlorobenzoyl indomethacin (CHEBI:172459) is a indole-3-acetic acids (CHEBI:24803)
IUPAC Name 
2-(5-methoxy-2-methyl-1H-indol-3-yl)acetic acid
Manual XrefsDatabases
68635ChemSpider
HMDB0013988HMDB
Registry NumbersSources
CAS:2882-15-7ChemIDplus