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Chemistry, part 2

Content language

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Concept information

organooxygen compound > ester > carboxylic ester > mycolate ester > glucose 6-monomycolate (c85)
organooxygen compound > carbonyl compound > carboxylic ester > mycolate ester > glucose 6-monomycolate (c85)
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > mycolate ester > glucose 6-monomycolate (c85)
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > mycolate ester > glucose 6-monomycolate (c85)

Preferred term

glucose 6-monomycolate (c85)  

Type

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

Broader concept

charge

  • 0

formula

  • C91H178O9

has_functional_parent

has_role

inchi

  • InChI=1S/C91H178O9/c1-5-7-9-11-13-15-17-19-21-23-24-25-26-27-30-34-38-45-51-57-63-69-75-83(90(96)99-79-86-87(93)88(94)89(95)91(97)100-86)84(92)76-70-64-58-52-46-41-40-44-50-56-62-68-74-82-78-81(82)73-67-61-55-49-43-37-33-29-28-31-35-39-47-53-59-65-71-77-85(98-4)80(3)72-66-60-54-48-42-36-32-22-20-18-16-14-12-10-8-6-2/h80-89,91-95,97H,5-79H2,1-4H3/t80?,81?,82?,83-,84-,85?,86-,87-,88+,89-,91-/m1/s1

inchikey

  • RGSQZMPMFUCINU-SXBJGZNFSA-N

mass

  • 1416.385

monoisotopicmass

  • 1415.34709

smiles

  • C(CC(C(CCCCCCCCCCCCCCCCCCCC1C(CCCCCCCCCCCCCC[C@@H](O)[C@H](C(=O)OC[C@H]2O[C@H]([C@@H]([C@H]([C@@H]2O)O)O)O)CCCCCCCCCCCCCCCCCCCCCCCC)C1)OC)C)CCCCCCCCCCCCCCCC

subset

  • 3_STAR

synonym EXACT

  • 6-O-[(2R)-2-{(1R)-1-hydroxy-15-[2-(20-methoxy-21-methylnonatriacontyl)cyclopropyl]pentadecyl}hexacosanoyl]-D-glucopyranose
  • glucose 6-monomycolate (C85)

synonym RELATED

  • GMM

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:90348

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