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Chemistry, part 3

Content language

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Concept information

hydroxy fatty acid > (2r)-2-[(1r)-1-hydroxy-18-/{2-[10-(2-nonadecylcyclopropyl)decyl]cyclopropyl/}octadecyl]hexacosanoic acid

Preferred term

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

Type

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

Broader concept

charge

  • 0

formula

  • C79H154O3

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)/t73?,74?,75?,76?,77-,78-/m1/s1

inchikey

  • VMDMJBCINRGMES-ADZVEYNVSA-N

is_conjugate_acid_of

mass

  • 1152.069

monoisotopicmass

  • 1151.18980

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]hexacosanoic acid

synonym RELATED

  • C79 alpha-mycolic acid (C53/C26)
  • C79 alpha-mycolic acid (l=18, m=10, n=17, p=23)

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:88131

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