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CHEBI:88031 - methoxymycolate type-3 (IX)

ChEBI IDCHEBI:88031
ChEBI Namemethoxymycolate type-3 (IX)
Stars
DefinitionThe conjugate base of methoxymycolic acid type-3 (IX). A class of mycolic acids characterized by the presence of a proximal cis 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.C11H19O4
Net Charge-1
Average Mass271.377
Monoisotopic Mass271.19148
SMILESCC[C@H](C)[C@H](C/C=C\C[C@@H](O)[C@@H](CC)C(=O)[O-])OC
InChIInChI=1S/C15H28O4/c1-5-11(3)14(19-4)10-8-7-9-13(16)12(6-2)15(17)18/h7-8,11-14,16H,5-6,9-10H2,1-4H3,(H,17,18)/p-1/b8-7-/t11-,12+,13+,14-/m0/s1
InChIKeyXTAGNQVQARAMJH-FHRMIITISA-M
ChEBI Ontology
Outgoing Relation(s)
methoxymycolate type-3 (IX) (CHEBI:88031) is a mycolate (CHEBI:25436)
Synonyms  Source
(Z)-Δ-(S)-methoxy-(S)-methyl-α-mycolateSUBMITTER
(Z)-Δ-methoxymycolateSUBMITTER
Citations