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(2R)-2-[(1R)-1-hydroxy-20-{2-[10-(2-octadecylcyclopropyl)decyl]cyclopropyl}icosyl]hexacosanoic acid

Go to external page http://purl.obolibrary.org/obo/CHEBI_88126

A C80 mycolic acid having a C54 meromycolic chain with two cis cyclopropyl functions and a saturated C26 alpha-branch. It is produced by Mycobacterium tuberculosis H37Ra.

Term info

Label

(2R)-2-[(1R)-1-hydroxy-20-{2-[10-(2-octadecylcyclopropyl)decyl]cyclopropyl}icosyl]hexacosanoic acid

Synonyms
  • (2R)-2-[(1R)-1-hydroxy-20-{2-[10-(2-octadecylcyclopropyl)decyl]cyclopropyl}icosyl]hexacosanoic acid
database cross reference
Subsets

3_STAR

IUPAC NAME
(2R)-2-[(1R)-1-hydroxy-20-{2-[10-(2-octadecylcyclopropyl)decyl]cyclopropyl}icosyl]hexacosanoic acid [ IUPAC ]

charge

0

formula

C80H156O3

has obo namespace

chebi_ontology

has related synonym

C80 alpha-mycolate (l=17, m=10, n=19, p=23), C80 alpha-mycolic acid (C54/C26)

id

CHEBI:88126

inchi

InChI=1S/C80H156O3/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-28-32-36-40-44-52-58-64-70-78(80(82)83)79(81)71-65-59-53-45-41-37-33-29-26-27-31-35-39-43-49-55-61-67-75-73-77(75)69-63-57-51-47-46-50-56-62-68-76-72-74(76)66-60-54-48-42-38-34-30-20-18-16-14-12-10-8-6-4-2/h74-79,81H,3-73H2,1-2H3,(H,82,83)/t74?,75?,76?,77?,78-,79-/m1/s1

inchikey

JAUJGCAKQYMFNX-KOOJLLMASA-N

mass

1166.096

monoisotopicmass

1165.20545

smiles

C(CCCCCCCCC1C(CCCCCCCCCCC2C(CCCCCCCCCCCCCCCCCCC[C@@H](O)[C@H](C(O)=O)CCCCCCCCCCCCCCCCCCCCCCCC)C2)C1)CCCCCCCCC