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Chemistry, part 1

Content language

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Concept information

... > chemical entity > molecular entity > ion > cation > organic cation > iminium ion > guanidinium ion > 3''-adenylylstreptomycin(2+)
... > chemical entity > molecular entity > ion > organic ion > organic cation > iminium ion > guanidinium ion > 3''-adenylylstreptomycin(2+)
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic ion > organic cation > iminium ion > guanidinium ion > 3''-adenylylstreptomycin(2+)

Preferred term

3''-adenylylstreptomycin(2+)  

Type

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

Broader concept

charge

  • +2

formula

  • C31H53N12O18P

inchi

  • InChI=1S/C31H51N12O18P/c1-8-31(52,5-45)23(28(56-8)59-21-12(42-30(35)36)17(48)11(41-29(33)34)18(49)19(21)50)60-27-13(37-2)22(16(47)9(3-44)58-27)61-62(53,54)55-4-10-15(46)20(51)26(57-10)43-7-40-14-24(32)38-6-39-25(14)43/h5-13,15-23,26-28,37,44,46-52H,3-4H2,1-2H3,(H,53,54)(H2,32,38,39)(H4,33,34,41)(H4,35,36,42)/p+2/t8-,9-,10+,11+,12-,13-,15+,16-,17+,18-,19+,20+,21+,22-,23-,26+,27-,28-,31+/m0/s1

inchikey

  • XXCKFFAFJMNLBC-YSLWDUGSSA-P

is_conjugate_acid_of

mass

  • 912.79590

monoisotopicmass

  • 912.33274

smiles

  • C[NH2+][C@@H]1[C@@H](O[C@@H](CO)[C@H](O)[C@H]1OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)O[C@H]1[C@@H](O[C@@H](C)[C@]1(O)C=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](NC(N)=[NH2+])[C@@H](O)[C@@H]1NC(N)=[NH2+]

subset

  • 3_STAR

synonym RELATED

  • 3''-O-adenylylstreptomycin

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:58605

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