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CHEBI:88035 - ketomycolate type-1 (X')

ChEBI IDCHEBI:88035
ChEBI Nameketomycolate type-1 (X')
Stars
DefinitionThe conjugate base of ketomycolic acid type-1 (X'). A class of mycolic acids characterized by the presence of two proximal cis-cyclopropyl groups 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.(CH2)q.C14H21O4
Net Charge-1
Average Mass323.453
Monoisotopic Mass323.22278
SMILESCC[C@H](C)C(=O)CC1CC1CC1CC1C[C@@H](O)[C@@H](CC)C(=O)[O-]
InChIInChI=1S/C19H32O4/c1-4-11(3)17(20)9-14-7-12(14)6-13-8-15(13)10-18(21)16(5-2)19(22)23/h11-16,18,21H,4-10H2,1-3H3,(H,22,23)/p-1/t11-,12?,13?,14?,15?,16+,18+/m0/s1
InChIKeyPAWRORSKAWTPMV-AGSODSOASA-M
ChEBI Ontology
Outgoing Relation(s)
ketomycolate type-1 (X') (CHEBI:88035) is a mycolate (CHEBI:25436)
UniProt Name  Source
(Z,Z)-dicyclopropyl-oxomycolateUniProt
Citations