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CHEBI:87709 - methoxy mycolate

ChEBI IDCHEBI:87709
ChEBI Namemethoxy mycolate
Stars
DefinitionAn ultra-long-chain fatty acid anion that is the conjugate base of methoxy mycolic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified1 February 2019
SubmitterAnneNiknejad
DownloadsMolfile
FormulaC83H163O4
Net Charge-1
Average Mass1225.213
Monoisotopic Mass1224.25569
SMILESCCCCCCCCCCCCCCCCCCCCCCC(C(=O)[O-])C(O)CCCCCCCCCCCCCCCCCC1CC1CCCCCCCCCCCCCCCCC(OC)C(C)CCCCCCCCCCCCCCCCCC
InChIInChI=1S/C83H164O4/c1-5-7-9-11-13-15-17-19-21-23-24-25-26-30-37-43-49-55-61-67-73-80(83(85)86)81(84)74-68-62-56-50-44-38-31-27-29-35-41-47-53-59-65-71-78-76-79(78)72-66-60-54-48-42-36-32-33-39-45-51-57-63-69-75-82(87-4)77(3)70-64-58-52-46-40-34-28-22-20-18-16-14-12-10-8-6-2/h77-82,84H,5-76H2,1-4H3,(H,85,86)/p-1
InChIKeyKZLRXNDCHXPYTL-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
methoxy mycolate (CHEBI:87709) is a branched-chain fatty acid anion (CHEBI:58955)
methoxy mycolate (CHEBI:87709) is a hydroxy fatty acid anion (CHEBI:59835)
methoxy mycolate (CHEBI:87709) is a mycolate (CHEBI:25436)
methoxy mycolate (CHEBI:87709) is a ultra-long-chain fatty acid anion (CHEBI:143005)
methoxy mycolate (CHEBI:87709) is conjugate base of methoxy mycolic acid (CHEBI:59233)
Incoming Relation(s)
methoxy mycolic acid (CHEBI:59233) is conjugate acid of methoxy mycolate (CHEBI:87709)
IUPAC Name 
2-{1-hydroxy-18-[2-(17-methoxy-18-methylhexatriacontyl)cyclopropyl]octadecyl}tetracosanoate