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Chemistry, part 2

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Concept information

organooxygen compound > polyketide > macrolide > 23-(6-methyl)heptanoic acid demalonylazalomycin f5a ester
... > organooxygen compound > ester > carboxylic ester > lactone > macrocyclic lactone > macrolide > 23-(6-methyl)heptanoic acid demalonylazalomycin f5a ester
... > organooxygen compound > carbonyl compound > carboxylic ester > lactone > macrocyclic lactone > macrolide > 23-(6-methyl)heptanoic acid demalonylazalomycin f5a ester
... > 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 > 23-(6-methyl)heptanoic acid demalonylazalomycin f5a ester
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > lactone > macrocyclic lactone > macrolide > 23-(6-methyl)heptanoic acid demalonylazalomycin f5a ester
... > organooxygen compound > ester > lactone > macrocyclic lactone > macrolide > 23-(6-methyl)heptanoic acid demalonylazalomycin f5a ester
... > organooxygen compound > oxacycle > lactone > macrocyclic lactone > macrolide > 23-(6-methyl)heptanoic acid demalonylazalomycin f5a ester
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > lactone > macrocyclic lactone > macrolide > 23-(6-methyl)heptanoic acid demalonylazalomycin f5a ester
... > 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 > 23-(6-methyl)heptanoic acid demalonylazalomycin f5a ester
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > lactone > macrocyclic lactone > macrolide > 23-(6-methyl)heptanoic acid demalonylazalomycin f5a ester
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > macrocycle > macrocyclic lactone > macrolide > 23-(6-methyl)heptanoic acid demalonylazalomycin f5a ester

Preferred term

23-(6-methyl)heptanoic acid demalonylazalomycin f5a ester  

Type

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

Broader concept

charge

  • 0

formula

  • C62H109N3O15

inchi

  • InChI=1S/C62H109N3O15/c1-39(2)22-17-18-28-57(74)78-49-33-47(66)32-48(67)34-52(69)40(3)24-20-26-44(7)58(43(6)23-16-14-12-13-15-19-31-65-61(63-10)64-11)79-60(76)45(8)27-21-25-41(4)53(70)37-54(71)46(9)51(68)30-29-42(5)56(73)38-62(77)59(75)55(72)36-50(35-49)80-62/h12-13,20-21,24-27,39,41-44,46-56,58-59,66-73,75,77H,14-19,22-23,28-38H2,1-11H3,(H2,63,64,65)/t41?,42-,43-,44?,46?,47+,48+,49-,50-,51?,52-,53?,54?,55+,56-,58-,59-,62+/m0/s1

inchikey

  • BRLHILFTNILTRK-LWQQSTPOSA-N

mass

  • 1136.560

monoisotopicmass

  • 1135.78587

smiles

  • O=C1O[C@H](C(C=CC=C([C@@H](O)C[C@H](O)C[C@@H](O)C[C@H](OC(=O)CCCCC(C)C)C[C@@H]2O[C@@](C[C@@H]([C@H](CCC(C(C(CC(C(C=CC=C1C)C)O)O)C)O)C)O)(O)[C@@H](O)[C@@H](C2)O)C)C)[C@H](CCCC=CCCCNC(=NC)NC)C

subset

  • 2_STAR

synonym EXACT

  • [(1R,3S,5R,7R,9S,15S,30S,31S,33R,34S,35R)-15-[(2S)-10-[(N,N'-dimethylcarbamimidoyl)amino]dec-6-en-2-yl]-5,7,9,23,25,27,31,33,34,35-decahydroxy-10,14,18,22,26,30-hexamethyl-17-oxo-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,12,18,20-tetraen-3-yl] 6-methylheptanoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:214968

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