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CHEBI:88036 - ketomycolate type-1 (XI)

ChEBI IDCHEBI:88036
ChEBI Nameketomycolate type-1 (XI)
Stars
DefinitionThe conjugate base of ketomycolic acid type-1 (XI). A class of mycolic acids characterized by the presence of a proximal trans-cyclopropyl group followed by 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.C13H21O4
Net Charge-1
Average Mass297.415
Monoisotopic Mass297.20713
SMILESCC[C@H](C)C(=O)CC(C)C1CC1C[C@@H](O)[C@@H](CC)C(=O)[O-]
InChIInChI=1S/C17H30O4/c1-5-10(3)15(18)7-11(4)14-8-12(14)9-16(19)13(6-2)17(20)21/h10-14,16,19H,5-9H2,1-4H3,(H,20,21)/p-1/t10-,11?,12?,13+,14?,16+/m0/s1
InChIKeyJJGYXQLHKNAZEY-YDMCKWRNSA-M
ChEBI Ontology
Outgoing Relation(s)
ketomycolate type-1 (XI) (CHEBI:88036) is a mycolate (CHEBI:25436)
Synonym  Source
trans ketomycolateSUBMITTER
UniProt Name  Source
(E)-cyclopropyl-oxomycolateUniProt
Citations