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CHEBI:88020 - α-mycolate type-3 (IV)

ChEBI IDCHEBI:88020
ChEBI Nameα-mycolate type-3 (IV)
Stars
ASCII Namealpha-mycolate type-3 (IV)
DefinitionThe conjugate base of α-mycolic acid type-3 (IV). A class of mycolic acids characterized by the presence of a proximal cis-cyclopropyl group and a distal cis C=C double bond in the meromycolic chain.
Submitternhn
DownloadsMolfile
Formula(CH2)l.(CH2)m.(CH2)n.(CH2)p.C10H15O3
Net Charge-1
Average Mass239.335
Monoisotopic Mass239.16527
SMILESCC/C=C\CC1CC1C[C@@H](O)[C@@H](CC)C(=O)[O-]
InChIInChI=1S/C14H24O3/c1-3-5-6-7-10-8-11(10)9-13(15)12(4-2)14(16)17/h5-6,10-13,15H,3-4,7-9H2,1-2H3,(H,16,17)/p-1/b6-5-/t10?,11?,12-,13-/m1/s1
InChIKeyDQLJWDPIMMGMIA-QDUWNOHVSA-M
ChEBI Ontology
Outgoing Relation(s)
α-mycolate type-3 (IV) (CHEBI:88020) is a mycolate (CHEBI:25436)
Synonym  Source
(Z)-cyclopropyl-(Z)-Δ-α-mycolateSUBMITTER
Citations