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CHEBI:88032 - methoxymycolate type-3 (IX')

ChEBI IDCHEBI:88032
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 followed by a cis-cyclopropyl group and a distal (CH-CH3)-(CHO-CH3) fragment of (S,S) stereochemistry in the meromycolic chain.
Last Modified3 July 2018
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](CC1CC1C/C=C\C[C@@H](O)[C@@H](CC)C(=O)[O-])OC
InChIInChI=1S/C19H34O4/c1-5-13(3)18(23-4)12-15-11-14(15)9-7-8-10-17(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
InChIKeyBDHVZJMFHXGXRO-YXLOOWJMSA-M
ChEBI Ontology
Outgoing Relation(s)
methoxymycolate type-3 (IX') (CHEBI:88032) is a mycolate (CHEBI:25436)
UniProt Name  Source
(Z)-Δ-(Z)-cyclopropyl-(S)-methoxy-(S)-methyl-α-mycolateUniProt
Citations