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Chemistry, part 1

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > ammonium ion derivative > 6''-o-carbamoylkanamycin a(4+)
... > chemical entity > molecular entity > ion > cation > polyatomic cation > ammonium ion derivative > 6''-o-carbamoylkanamycin a(4+)
... > chemical entity > molecular entity > ion > polyatomic ion > polyatomic cation > ammonium ion derivative > 6''-o-carbamoylkanamycin a(4+)
... > chemical entity > molecular entity > polyatomic entity > polyatomic ion > polyatomic cation > ammonium ion derivative > 6''-o-carbamoylkanamycin a(4+)
... > chemical entity > molecular entity > ion > cation > organic cation > 6''-o-carbamoylkanamycin a(4+)
... > chemical entity > molecular entity > ion > organic ion > organic cation > 6''-o-carbamoylkanamycin a(4+)
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic ion > organic cation > 6''-o-carbamoylkanamycin a(4+)

Preferred term

6''-o-carbamoylkanamycin a(4+)  

Type

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

Broader concept

charge

  • +4

formula

  • C19H41N5O12

has_functional_parent

inchi

  • InChI=1S/C19H37N5O12/c20-2-6-10(26)12(28)13(29)18(33-6)36-16-5(22)1-4(21)15(14(16)30)35-17-11(27)8(23)9(25)7(34-17)3-32-19(24)31/h4-18,25-30H,1-3,20-23H2,(H2,24,31)/p+4/t4-,5+,6-,7-,8+,9-,10-,11-,12+,13-,14-,15+,16-,17-,18-/m1/s1

inchikey

  • PRWQRPNQDIKFBR-NOAMYHISSA-R

is_conjugate_acid_of

mass

  • 531.55510

monoisotopicmass

  • 531.27298

smiles

  • NC(=O)OC[C@H]1O[C@H](O[C@H]2[C@H]([NH3+])C[C@H]([NH3+])[C@@H](O[C@H]3O[C@H](C[NH3+])[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2O)[C@H](O)[C@@H]([NH3+])[C@@H]1O

subset

  • 3_STAR

synonym EXACT

  • (1S,2R,3R,4S,6R)-4,6-diazaniumyl-3-[(6-azaniumyl-6-deoxy-alpha-D-glucopyranosyl)oxy]-2-hydroxycyclohexyl 3-azaniumyl-6-O-carbamoyl-3-deoxy-alpha-D-glucopyranoside

synonym RELATED

  • 6''-O-carbamoylkanamycin A

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:73675

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