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Chemistry, part 2

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic hydroxy compound > alcohol > secondary alcohol > (3s,5r,10r,12s,14s,15r,16r)-3,5,10,14,15-pentahydroxy-12,16-dimethylicosan-2-one
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > alcohol > secondary alcohol > (3s,5r,10r,12s,14s,15r,16r)-3,5,10,14,15-pentahydroxy-12,16-dimethylicosan-2-one
organooxygen compound > carbonyl compound > ketone > (3s,5r,10r,12s,14s,15r,16r)-3,5,10,14,15-pentahydroxy-12,16-dimethylicosan-2-one
... > 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 > ketone > (3s,5r,10r,12s,14s,15r,16r)-3,5,10,14,15-pentahydroxy-12,16-dimethylicosan-2-one
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > ketone > (3s,5r,10r,12s,14s,15r,16r)-3,5,10,14,15-pentahydroxy-12,16-dimethylicosan-2-one

Preferred term

(3s,5r,10r,12s,14s,15r,16r)-3,5,10,14,15-pentahydroxy-12,16-dimethylicosan-2-one  

Type

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

Broader concept

charge

  • 0

formula

  • C22H44O6

has_role

inchi

  • InChI=1S/C22H44O6/c1-5-6-9-16(3)22(28)21(27)13-15(2)12-18(24)10-7-8-11-19(25)14-20(26)17(4)23/h15-16,18-22,24-28H,5-14H2,1-4H3/t15-,16+,18+,19+,20-,21-,22+/m0/s1

inchikey

  • NYWGYGGFNSPMLY-GXKXQWPPSA-N

mass

  • 404.582

monoisotopicmass

  • 404.31379

smiles

  • CCCC[C@H]([C@H]([C@H](C[C@H](C[C@@H](CCCC[C@H](C[C@@H](C(C)=O)O)O)O)C)O)O)C

subset

  • 3_STAR

synonym EXACT

  • (3S,5R,10R,12S,14S,15R,16R)-3,5,10,14,15-pentahydroxy-12,16-dimethylicosan-2-one

synonym RELATED

  • (3S,5R,10R,12S,14S,15R,16R)-3,5,10,14,15-pentahydroxy-12,16-dimethyleicosan-2-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:133941

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