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CHEBI:88038 - ketomycolate type-3 (XIII)

ChEBI IDCHEBI:88038
ChEBI Nameketomycolate type-3 (XIII)
Stars
DefinitionThe conjugate base of ketomycolic acid type-3 (XIII). A class of mycolic acids characterized by the presence of a proximal cis C=C double bond and a distal oxo group and a (CH-CH3) fragment of (S) stereochemistry in the meromycolic chain.
Submitternhn
DownloadsMolfile
Formula(CH2)l.(CH2)m.(CH2)n.(CH2)p.C10H15O4
Net Charge-1
Average Mass255.334
Monoisotopic Mass255.16018
SMILESCC[C@H](C)C(=O)C/C=C\C[C@@H](O)[C@@H](CC)C(=O)[O-]
InChIInChI=1S/C14H24O4/c1-4-10(3)12(15)8-6-7-9-13(16)11(5-2)14(17)18/h6-7,10-11,13,16H,4-5,8-9H2,1-3H3,(H,17,18)/p-1/b7-6-/t10-,11+,13+/m0/s1
InChIKeyZYDGEDJVZIJTCO-CDSYKIJESA-M
ChEBI Ontology
Outgoing Relation(s)
ketomycolate type-3 (XIII) (CHEBI:88038) is a mycolate (CHEBI:25436)
UniProt Name  Source
(Z)-Δ-oxomycolateUniProt
Citations