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CHEBI:60923 - R. ruber mycolic acid

ChEBI IDCHEBI:60923
ChEBI NameR. ruber mycolic acid
Stars
ASCII NameR. ruber mycolic acid
DefinitionA forty-six membered mycolic acid consisting of 3-hydroxydotriacontanoic acid having a tetradecyl group at the 2-position.
Last Modified10 January 2011
SubmitterSteve
DownloadsMolfile
FormulaC46H92O3
Net Charge0
Average Mass693.239
Monoisotopic Mass692.70465
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)C(CCCCCCCCCCCCCC)C(=O)O
InChIInChI=1S/C46H92O3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-33-35-37-39-41-43-45(47)44(46(48)49)42-40-38-36-34-32-16-14-12-10-8-6-4-2/h44-45,47H,3-43H2,1-2H3,(H,48,49)
InChIKeyDKXQWQBYCTXRSN-UHFFFAOYSA-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)
R. ruber mycolic acid (CHEBI:60923) is a 3-hydroxy fatty acid (CHEBI:59845)
R. ruber mycolic acid (CHEBI:60923) is a mycolic acid (CHEBI:25438)
IUPAC Name 
3-hydroxy-2-tetradecyldotriacontanoic acid
Synonyms  Source
R. ruber mycolic acid (C46)ChEBI
mycolic acid (C46)ChEBI
Citations