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dihydroxy mycolate

Go to external page http://purl.obolibrary.org/obo/CHEBI_87706

A very long-chain fatty acid anion that is the conjugate base of dihydroxy mycolic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.

Term info

Label

dihydroxy mycolate

Synonyms
  • 2-{1-hydroxy-18-[2-(17-hydroxy-18-methylhexatriacontyl)cyclopropyl]octadecyl}tetracosanoate
database cross reference
Subsets

3_STAR

IUPAC NAME
2-{1-hydroxy-18-[2-(17-hydroxy-18-methylhexatriacontyl)cyclopropyl]octadecyl}tetracosanoate [ IUPAC ]

charge

-1

formula

C82H161O4

has obo namespace

chebi_ontology

id

CHEBI:87706

inchi

InChI=1S/C82H162O4/c1-4-6-8-10-12-14-16-18-20-22-23-24-25-29-36-42-48-54-60-66-72-79(82(85)86)81(84)74-68-62-56-50-44-38-30-26-28-34-40-46-52-58-64-70-77-75-78(77)71-65-59-53-47-41-35-31-32-37-43-49-55-61-67-73-80(83)76(3)69-63-57-51-45-39-33-27-21-19-17-15-13-11-9-7-5-2/h76-81,83-84H,4-75H2,1-3H3,(H,85,86)/p-1

inchikey

UWUJGRILHQLZMR-UHFFFAOYSA-M

mass

1211.156

monoisotopicmass

1210.24004

smiles

C(CCCCCCCCC(C)C(O)CCCCCCCCCCCCCCCCC1C(CCCCCCCCCCCCCCCCCC(O)C(C([O-])=O)CCCCCCCCCCCCCCCCCCCCCC)C1)CCCCCCCCC