skip to main content

Chemistry, part 2

Content language

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

Concept information

organooxygen compound > polyketide > macrolide > 4''',6'''-didechloro-4'''-bromotiacumicin b
... > organooxygen compound > ester > carboxylic ester > lactone > macrocyclic lactone > macrolide > 4''',6'''-didechloro-4'''-bromotiacumicin b
... > organooxygen compound > carbonyl compound > carboxylic ester > lactone > macrocyclic lactone > macrolide > 4''',6'''-didechloro-4'''-bromotiacumicin b
... > 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 > lactone > macrocyclic lactone > macrolide > 4''',6'''-didechloro-4'''-bromotiacumicin b
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > lactone > macrocyclic lactone > macrolide > 4''',6'''-didechloro-4'''-bromotiacumicin b
... > organooxygen compound > ester > lactone > macrocyclic lactone > macrolide > 4''',6'''-didechloro-4'''-bromotiacumicin b
... > organooxygen compound > oxacycle > lactone > macrocyclic lactone > macrolide > 4''',6'''-didechloro-4'''-bromotiacumicin b
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > lactone > macrocyclic lactone > macrolide > 4''',6'''-didechloro-4'''-bromotiacumicin b
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > lactone > macrocyclic lactone > macrolide > 4''',6'''-didechloro-4'''-bromotiacumicin b
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > lactone > macrocyclic lactone > macrolide > 4''',6'''-didechloro-4'''-bromotiacumicin b
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > macrocycle > macrocyclic lactone > macrolide > 4''',6'''-didechloro-4'''-bromotiacumicin b

Preferred term

4''',6'''-didechloro-4'''-bromotiacumicin b  

Type

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

Broader concept

charge

  • 0

formula

  • C52H75BrO18

inchi

  • InChI=1S/C52H75BrO18/c1-13-31-23-35(56)38(53)39(57)37(31)49(63)68-43-30(9)66-50(44(64-12)40(43)58)65-24-33-17-15-16-18-34(55)27(6)22-32(14-2)42(28(7)21-26(5)19-20-36(29(8)54)67-48(33)62)70-51-45(69-47(61)25(3)4)41(59)46(60)52(10,11)71-51/h15-17,19,21-23,25,29-30,32,34,36,40-46,50-51,54-60H,13-14,18,20,24H2,1-12H3/b16-15-,26-19-,27-22-,28-21-,33-17-/t29?,30-,32?,34?,36?,40+,41+,42?,43-,44+,45-,46-,50-,51+/m0/s1

inchikey

  • KUTIYEZTVYZGIL-OBGOMDGGSA-N

mass

  • 1068.058

monoisotopicmass

  • 1066.41368

smiles

  • BrC1=C(O)C(=C(CC)C=C1O)C(=O)O[C@@H]2[C@@H](O)[C@@H](OC)[C@@H](OCC=3C(=O)OC(C(O)C)CC=C(C=C(C(O[C@@H]4OC([C@@H](O)[C@@H]([C@@H]4OC(=O)C(C)C)O)(C)C)C(C=C(C(CC=CC3)O)C)CC)C)C)O[C@H]2C

subset

  • 2_STAR

synonym EXACT

  • [(2S,3R,4R,5R,6S)-6-[[(3Z,5Z,9Z,13Z,15Z)-12-[(2R,3S,4S,5S)-4,5-dihydroxy-6,6-dimethyl-3-(2-methylpropanoyloxy)oxan-2-yl]oxy-11-ethyl-8-hydroxy-18-(1-hydroxyethyl)-9,13,15-trimethyl-2-oxo-1-oxacyclooctadeca-3,5,9,13,15-pentaen-3-yl]methoxy]-4-hydroxy-5-methoxy-2-methyloxan-3-yl] 3-bromo-6-ethyl-2,4-dihydroxybenzoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:219977

Download this concept:

RDF/XML TURTLE JSON-LD