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CHEBI:88030 - methoxymycolate type-2 (VIII)

ChEBI IDCHEBI:88030
ChEBI Namemethoxymycolate type-2 (VIII)
Stars
DefinitionThe conjugate base of methoxymycolic acid type-2 (VIII). A class of mycolic acids characterized by the presence of a proximal alkenyl group with a trans C=C double bond and a distal (CH-CH3)-(CHO-CH3) fragment of (S,S) stereochemistry in the meromycolic chain.
Submitternhn
DownloadsMolfile
Formula(CH2)l.(CH2)m.(CH2)n.(CH2)p.C13H23O4
Net Charge-1
Average Mass299.431
Monoisotopic Mass299.22278
SMILESCC[C@H](C)[C@H](C/C=C/C(C)C[C@@H](O)[C@@H](CC)C(=O)[O-])OC
InChIInChI=1S/C17H32O4/c1-6-13(4)16(21-5)10-8-9-12(3)11-15(18)14(7-2)17(19)20/h8-9,12-16,18H,6-7,10-11H2,1-5H3,(H,19,20)/p-1/b9-8+/t12?,13-,14+,15+,16-/m0/s1
InChIKeyHVXDVKYNXIKCLY-CQKNUQCDSA-M
ChEBI Ontology
Outgoing Relation(s)
methoxymycolate type-2 (VIII) (CHEBI:88030) is a mycolate (CHEBI:25436)
Synonym  Source
(E)-Δ-methoxymycolateSUBMITTER
UniProt Name  Source
(E)-Δ-(S)-methoxy-(S)-methyl-α-mycolateUniProt
Citations