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CHEBI:60916 - corynomycolic acid

ChEBI IDCHEBI:60916
ChEBI Namecorynomycolic acid
Stars
DefinitionA thirty-two membered mycolic acid consisting of 3-hydroxystearic acid having a tetradecyl group at the 2-position.
Last Modified3 August 2014
SubmitterSteve
DownloadsMolfile
FormulaC32H64O3
Net Charge0
Average Mass496.861
Monoisotopic Mass496.48555
SMILESCCCCCCCCCCCCCCCC(O)C(CCCCCCCCCCCCCC)C(=O)O
InChIInChI=1S/C32H64O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31(33)30(32(34)35)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h30-31,33H,3-29H2,1-2H3,(H,34,35)
InChIKeyCUEQHYJSSUSIFI-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)
corynomycolic acid (CHEBI:60916) is a 3-hydroxy fatty acid (CHEBI:59845)
corynomycolic acid (CHEBI:60916) is a mycolic acid (CHEBI:25438)
Incoming Relation(s)
6-deoxy-D-glucos-6-yl corynomycolate (CHEBI:74256) has functional parent corynomycolic acid (CHEBI:60916)
IUPAC Name 
3-hydroxy-2-tetradecyloctadecanoic acid
Synonyms  Source
synthetic mycolic acidChEBI
mycolic acid (C32)ChEBI
Manual XrefsDatabases
C16793KEGG COMPOUND
Registry NumbersSources
Reaxys:1807083Reaxys
CAS:446-21-9KEGG COMPOUND
Citations