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Chemistry, part 2

Content language

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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 molecule > dipolar compound > zwitterion > 12-dehydrotetracycline zwitterion
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > dipolar compound > zwitterion > 12-dehydrotetracycline zwitterion

Preferred term

12-dehydrotetracycline zwitterion  

Type

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

Broader concept

charge

  • 0

formula

  • C22H22N2O8

inchi

  • InChI=1S/C22H22N2O8/c1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28/h4-6,10,15,25,27,31-32H,7H2,1-3H3,(H2,23,30)/t10-,15-,21+,22-/m0/s1

inchikey

  • DUAVZCXHIINBQU-ILGMQVKHSA-N

is_tautomer_of

mass

  • 442.41870

monoisotopicmass

  • 442.13762

smiles

  • [H][C@@]12CC3=C(C(=O)c4c(O)cccc4[C@@]3(C)O)C(=O)[C@]1(O)C(=O)C(C(N)=O)=C([O-])[C@H]2[NH+](C)C

subset

  • 3_STAR

synonym EXACT

  • (1S,4aS,11S,12aS)-3-carbamoyl-1-(dimethylazaniumyl)-4a,7,11-trihydroxy-11-methyl-4,5,6-trioxo-1,4,4a,5,6,11,12,12a-octahydrotetracen-2-olate

synonym RELATED

  • 5a,11a-dehydrotetracycline

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:57522

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