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Chemistry, part 3

Content language

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Concept information

hydroxy fatty acid anion > (2r)-2-[(1r)-1-hydroxy-18-/{2-[10-(2-nonadecylcyclopropyl)decyl]cyclopropyl/}octadecyl]hexacosanoate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > an alpha-mycolic acid > (2r)-2-[(1r)-1-hydroxy-18-/{2-[10-(2-nonadecylcyclopropyl)decyl]cyclopropyl/}octadecyl]hexacosanoate

Preferred term

(2r)-2-[(1r)-1-hydroxy-18-/{2-[10-(2-nonadecylcyclopropyl)decyl]cyclopropyl/}octadecyl]hexacosanoate  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • -1

formula

  • C79H153O3

has_role

inchi

  • InChI=1S/C79H154O3/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-27-31-35-39-43-51-57-63-69-77(79(81)82)78(80)70-64-58-52-44-40-36-32-28-30-34-38-42-48-54-60-66-74-72-76(74)68-62-56-50-46-45-49-55-61-67-75-71-73(75)65-59-53-47-41-37-33-29-26-20-18-16-14-12-10-8-6-4-2/h73-78,80H,3-72H2,1-2H3,(H,81,82)/p-1/t73?,74?,75?,76?,77-,78-/m1/s1

inchikey

  • VMDMJBCINRGMES-ADZVEYNVSA-M

is_conjugate_base_of

mass

  • 1151.061

monoisotopicmass

  • 1150.18252

smiles

  • C(CCCCCCCCC1C(CCCCCCCCCCC2C(CCCCCCCCCCCCCCCCC[C@@H](O)[C@H](C([O-])=O)CCCCCCCCCCCCCCCCCCCCCCCC)C2)C1)CCCCCCCCCC

subset

  • 3_STAR

synonym EXACT

  • (2R)-2-[(1R)-1-hydroxy-18-{2-[10-(2-nonadecylcyclopropyl)decyl]cyclopropyl}octadecyl]hexacosanoate

synonym RELATED

  • (2R)-2-[(1R)-1-hydroxy-18-{2-[10-(2-nonadecylcyclopropyl)decyl]cyclopropyl}octadecyl]hexacosanoate
  • C79 alpha-mycolate (C53/C26)
  • C79 alpha-mycolate (l=18, m=10, n=17, p=23)

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:87979

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