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CHEBI:88040 - ketomycolate type-3 (XIII'')

ChEBI IDCHEBI:88040
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-cyclopropyl group followed by a cis C=C double bond and a distal oxo group in the meromycolic chain.
Submitternhn
DownloadsMolfile
Formula(CH2)l.(CH2)m.(CH2)n.(CH2)p.(CH2)q.C13H19O4
Net Charge-1
Average Mass309.426
Monoisotopic Mass309.20713
SMILESCC[C@H](C)C(=O)C/C=C\CC1CC1C[C@@H](O)[C@@H](CC)C(=O)[O-]
InChIInChI=1S/C18H30O4/c1-4-12(3)16(19)9-7-6-8-13-10-14(13)11-17(20)15(5-2)18(21)22/h6-7,12-15,17,20H,4-5,8-11H2,1-3H3,(H,21,22)/p-1/b7-6-/t12-,13?,14?,15+,17+/m0/s1
InChIKeyPOKFFIIGJSIPPY-LDWMEISWSA-M
ChEBI Ontology
Outgoing Relation(s)
ketomycolate type-3 (XIII'') (CHEBI:88040) is a mycolate (CHEBI:25436)
UniProt Name  Source
(Z)-cyclopropyl-(Z)-Δ-oxomycolateUniProt
Citations