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CHEBI:88037 - ketomycolate type-2 (XII)

ChEBI IDCHEBI:88037
ChEBI Nameketomycolate type-2 (XII)
Stars
DefinitionThe conjugate base of ketomycolic acid type-2 (XII). A class of mycolic acids characterized by the presence of a proximal alkenyl group with a trans 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.C12H19O4
Net Charge-1
Average Mass283.388
Monoisotopic Mass283.19148
SMILESCC[C@H](C)C(=O)C/C=C/C(C)C[C@@H](O)[C@@H](CC)C(=O)[O-]
InChIInChI=1S/C16H28O4/c1-5-12(4)14(17)9-7-8-11(3)10-15(18)13(6-2)16(19)20/h7-8,11-13,15,18H,5-6,9-10H2,1-4H3,(H,19,20)/p-1/b8-7+/t11?,12-,13+,15+/m0/s1
InChIKeyAMYWVAAMWXSUTL-PWUCFTJHSA-M
ChEBI Ontology
Outgoing Relation(s)
ketomycolate type-2 (XII) (CHEBI:88037) is a mycolate (CHEBI:25436)
UniProt Name  Source
(E)-Δ-oxomycolateUniProt
Citations