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CHEBI:88033 - methoxymycolate type-3 (IX'')

ChEBI IDCHEBI:88033
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- cyclopropyl group followed by a 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.(CH2)q.C14H23O4
Net Charge-1
Average Mass325.469
Monoisotopic Mass325.23843
SMILESCC[C@H](C)[C@H](C/C=C\CC1CC1C[C@@H](O)[C@@H](CC)C(=O)[O-])OC
InChIInChI=1S/C19H34O4/c1-5-13(3)18(23-4)10-8-7-9-14-11-15(14)12-17(20)16(6-2)19(21)22/h7-8,13-18,20H,5-6,9-12H2,1-4H3,(H,21,22)/p-1/b8-7-/t13-,14?,15?,16+,17+,18-/m0/s1
InChIKeyDDTDGDDZXALUDB-YXLOOWJMSA-M
ChEBI Ontology
Outgoing Relation(s)
methoxymycolate type-3 (IX'') (CHEBI:88033) is a mycolate (CHEBI:25436)
UniProt Name  Source
(Z)-cyclopropyl-(Z)-Δ-(S)-methoxy-(S)-methyl-mycolateUniProt
Citations