skip to main content

Chemistry, part 2

Content language

Contact us: CRM@email.irandoc.ac.ir

Concept information

organooxygen compound > ester > carboxylic ester > mycolate ester > glycerol monomycolate (c85)
organooxygen compound > carbonyl compound > carboxylic ester > mycolate ester > glycerol 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 > glycerol monomycolate (c85)
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > mycolate ester > glycerol monomycolate (c85)

Preferred term

glycerol monomycolate (c85)  

Type

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

Broader concept

charge

  • 0

formula

  • C88H174O6

has_functional_parent

has_role

inchi

  • InChI=1S/C88H174O6/c1-5-7-9-11-13-15-17-19-21-23-24-25-26-27-30-34-38-45-51-57-63-69-75-85(88(92)94-80-84(90)79-89)86(91)76-70-64-58-52-46-41-40-44-50-56-62-68-74-83-78-82(83)73-67-61-55-49-43-37-33-29-28-31-35-39-47-53-59-65-71-77-87(93-4)81(3)72-66-60-54-48-42-36-32-22-20-18-16-14-12-10-8-6-2/h81-87,89-91H,5-80H2,1-4H3/t81?,82?,83?,84?,85-,86-,87?/m1/s1

inchikey

  • VQJLNJJDZHRPSJ-ZIWZMFKNSA-N

mass

  • 1328.323

monoisotopicmass

  • 1327.33104

smiles

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

subset

  • 3_STAR

synonym EXACT

  • 2,3-dihydroxypropyl (2R)-2-{(1R)-1-hydroxy-15-[2-(20-methoxy-21-methylnonatriacontyl)cyclopropyl]pentadecyl}hexacosanoate
  • glycerol monomycolate (C85)

synonym RELATED

  • GroMM

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:90345

Download this concept:

RDF/XML TURTLE JSON-LD