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Chemistry, part 2

Content language

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Concept information

organooxygen compound > polyketide > tetracyclines > 11a-hydroxytigecycline(1+)

Preferred term

11a-hydroxytigecycline(1+)  

Type

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

Broader concept

charge

  • +1

formula

  • C29H40N5O9

has_functional_parent

inchi

  • InChI=1S/C29H39N5O9/c1-27(2,3)31-11-17(35)32-15-10-16(33(4)5)13-8-12-9-14-20(34(6)7)22(37)19(25(30)40)24(39)29(14,43)26(41)28(12,42)23(38)18(13)21(15)36/h10,12,14,20,31,36-37,42-43H,8-9,11H2,1-7H3,(H2,30,40)(H,32,35)/p+1/t12-,14-,20-,28-,29+/m0/s1

inchikey

  • RKNGHEJZSVXSDR-GAABGNNBSA-O

mass

  • 602.664

monoisotopicmass

  • 602.28205

smiles

  • C1(C(=C([C@H]([C@@]2(C[C@@]3(CC4=C(C=C(C(=C4C([C@@]3(C([C@]12O)=O)O)=O)O)NC(C[NH2+]C(C)(C)C)=O)N(C)C)[H])[H])[NH+](C)C)[O-])C(=O)N)=O

subset

  • 2_STAR

synonym RELATED

  • 11a-hydroxytigecycline

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:142709

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