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CHEBI:88029 - methoxymycolate type-1 (VII)

ChEBI IDCHEBI:88029
ChEBI Namemethoxymycolate type-1 (VII)
Stars
DefinitionThe conjugate base of methoxymycolic acid type-1 (VII). A class of mycolic acids characterized by the presence of a proximal trans-cyclopropyl group 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.C14H25O4
Net Charge-1
Average Mass313.458
Monoisotopic Mass313.23843
SMILESCC[C@H](C)[C@H](CC(C)C1CC1C[C@@H](O)[C@@H](CC)C(=O)[O-])OC
InChIInChI=1S/C18H34O4/c1-6-11(3)17(22-5)8-12(4)15-9-13(15)10-16(19)14(7-2)18(20)21/h11-17,19H,6-10H2,1-5H3,(H,20,21)/p-1/t11-,12?,13?,14+,15?,16+,17-/m0/s1
InChIKeyNJLYIFQNFWDMBD-GYBJHDQDSA-M
ChEBI Ontology
Outgoing Relation(s)
methoxymycolate type-1 (VII) (CHEBI:88029) is a mycolate (CHEBI:25436)
Synonyms  Source
(E)-cyclopropyl-methoxymycolateSUBMITTER
trans-methoxymycolateSUBMITTER
UniProt Name  Source
(E)-cyclopropyl-(S)-methoxy-(S)-methyl-α-mycolateUniProt
Citations