EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:88039 - ketomycolate type-3 (XIII')

ChEBI IDCHEBI:88039
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 followed by a cis-cyclopropyl group, a distal oxo group and a (CH-CH3) fragment of (S) stereochemistry in the meromycolic chain.
Last Modified3 July 2018
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)CC1CC1C/C=C\C[C@@H](O)[C@@H](CC)C(=O)[O-]
InChIInChI=1S/C18H30O4/c1-4-12(3)17(20)11-14-10-13(14)8-6-7-9-16(19)15(5-2)18(21)22/h6-7,12-16,19H,4-5,8-11H2,1-3H3,(H,21,22)/p-1/b7-6-/t12-,13?,14?,15+,16+/m0/s1
InChIKeyPPGCTBHMJARNCR-HNAYBLEOSA-M
ChEBI Ontology
Outgoing Relation(s)
ketomycolate type-3 (XIII') (CHEBI:88039) is a branched-chain fatty acid anion (CHEBI:58955)
ketomycolate type-3 (XIII') (CHEBI:88039) is a mycolate (CHEBI:25436)
ketomycolate type-3 (XIII') (CHEBI:88039) is a oxo fatty acid anion (CHEBI:59836)
ketomycolate type-3 (XIII') (CHEBI:88039) is conjugate base of ketomycolic acid type-3 (XIII') (CHEBI:141096)
Incoming Relation(s)
ketomycolic acid type-3 (XIII') (CHEBI:141096) is conjugate acid of ketomycolate type-3 (XIII') (CHEBI:88039)
UniProt Name  Source
(Z)-Δ-(Z)-cyclopropyl-oxomycolateUniProt
Citations