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(2R)-2-[(1R)-1-hydroxy-20-{2-[10-(2-icosylcyclopropyl)decyl]cyclopropyl}icosyl]hexacosanoate

Go to external page http://purl.obolibrary.org/obo/CHEBI_87975

A C82 alpha-mycolate having a C56 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-icosylcyclopropyl)decyl]cyclopropyl}icosyl]hexacosanoate

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

3_STAR

IUPAC NAME
(2R)-2-[(1R)-1-hydroxy-20-{2-[10-(2-icosylcyclopropyl)decyl]cyclopropyl}icosyl]hexacosanoate [ IUPAC ]

charge

-1

formula

C82H159O3

has obo namespace

chebi_ontology

has related synonym

(2R)-2-[(1R)-1-hydroxy-20-{2-[10-(2-icosylcyclopropyl)decyl]cyclopropyl}icosyl]hexacosanoate, C82 alpha-mycolate (C56/C26), C82 alpha-mycolate (l=19, m=10, n=19, p=23)

id

CHEBI:87975

inchi

InChI=1S/C82H160O3/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-30-34-38-42-46-54-60-66-72-80(82(84)85)81(83)73-67-61-55-47-43-39-35-31-27-29-33-37-41-45-51-57-63-69-77-75-79(77)71-65-59-53-49-48-52-58-64-70-78-74-76(78)68-62-56-50-44-40-36-32-28-22-20-18-16-14-12-10-8-6-4-2/h76-81,83H,3-75H2,1-2H3,(H,84,85)/p-1/t76?,77?,78?,79?,80-,81-/m1/s1

inchikey

ZMMGYWGPGHSXNF-KBJIXYQNSA-M

mass

1193.141

monoisotopicmass

1192.22947

smiles

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