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(2R)-2-[(1R)-1-hydroxy-18-{2-[10-(2-octadecylcyclopropyl)decyl]cyclopropyl}octadecyl]tetracosanoate

Go to external page http://purl.obolibrary.org/obo/CHEBI_87969

A C76 alpha-mycolate having a C52 meromycolic chain with two cis cyclopropyl functions and a saturated C24 alpha-branch. It is produced by Mycobacterium tuberculosis H37Ra.

Term info

Label

(2R)-2-[(1R)-1-hydroxy-18-{2-[10-(2-octadecylcyclopropyl)decyl]cyclopropyl}octadecyl]tetracosanoate

Synonyms
  • (2R)-2-[(1R)-1-hydroxy-18-{2-[10-(2-octadecylcyclopropyl)decyl]cyclopropyl}octadecyl]tetracosanoate
database cross reference
Subsets

3_STAR

IUPAC NAME
(2R)-2-[(1R)-1-hydroxy-18-{2-[10-(2-octadecylcyclopropyl)decyl]cyclopropyl}octadecyl]tetracosanoate [ IUPAC ]

charge

-1

formula

C76H147O3

has obo namespace

chebi_ontology

has related synonym

C76 alpha-mycolate (C52/C24), C76 alpha-mycolate (l=17, m=10, n=17, p=21), (2R)-2-[(1R)-1-hydroxy-18-{2-[10-(2-octadecylcyclopropyl)decyl]cyclopropyl}octadecyl]tetracosanoate

id

CHEBI:87969

inchi

InChI=1S/C76H148O3/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-28-32-36-40-48-54-60-66-74(76(78)79)75(77)67-61-55-49-41-37-33-29-25-27-31-35-39-45-51-57-63-71-69-73(71)65-59-53-47-43-42-46-52-58-64-72-68-70(72)62-56-50-44-38-34-30-26-20-18-16-14-12-10-8-6-4-2/h70-75,77H,3-69H2,1-2H3,(H,78,79)/p-1/t70?,71?,72?,73?,74-,75-/m1/s1

inchikey

VALYEMHJQUPZKY-IEAGMYRTSA-M

mass

1108.981

monoisotopicmass

1108.13557

smiles

C(CCCCCCCCC1C(CCCCCCCCCCC2C(CCCCCCCCCCCCCCCCC[C@@H](O)[C@H](C([O-])=O)CCCCCCCCCCCCCCCCCCCCCC)C2)C1)CCCCCCCCC