EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:88028 - methoxymycolate type-1 (VI')

ChEBI IDCHEBI:88028
ChEBI Namemethoxymycolate type-1 (VI')
Stars
DefinitionThe conjugate base of methoxymycolic acid type-1 (VI'). A class of mycolic acids characterized by the presence of two proximal cis-cyclopropyl groups 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.(CH2)q.C15H25O4
Net Charge-1
Average Mass339.496
Monoisotopic Mass339.25408
SMILESCC[C@H](C)[C@H](CC1CC1CC1CC1C[C@@H](O)[C@@H](CC)C(=O)[O-])OC
InChIInChI=1S/C20H36O4/c1-5-12(3)19(24-4)11-16-9-14(16)7-13-8-15(13)10-18(21)17(6-2)20(22)23/h12-19,21H,5-11H2,1-4H3,(H,22,23)/p-1/t12-,13?,14?,15?,16?,17+,18+,19-/m0/s1
InChIKeyCLVSRSZBOWVBKO-UKBFGWEOSA-M
ChEBI Ontology
Outgoing Relation(s)
methoxymycolate type-1 (VI') (CHEBI:88028) is a mycolate (CHEBI:25436)
methoxymycolate type-1 (VI') (CHEBI:88028) is a organic molecular entity (CHEBI:50860)
Synonym  Source
(Z,Z)-dicyclopropyl-methoxymycolateSUBMITTER
UniProt Name  Source
(Z,Z)-dicyclopropyl-(S)-methoxy-(S)-methyl-α-mycolateUniProt
Citations