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Concept information

Preferred term

HP_DP02_0008 (3-)  

Type

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

charge

  • -3

formula

  • C12H16NO16S2

inchi

  • InChI=1S/C12H19NO16S2/c14-2-5-9(7(16)6(11(19)26-5)13-30(20,21)22)28-12-8(29-31(23,24)25)3(15)1-4(27-12)10(17)18/h1,3,5-9,11-16,19H,2H2,(H,17,18)(H,20,21,22)(H,23,24,25)/p-3/t3-,5+,6+,7+,8+,9+,11-,12-/m0/s1

inchikey

  • GSYQGRODWXMUOO-GYBHJADLSA-K

is_conjugate_base_of

mass

  • 494.385

monoisotopicmass

  • 493.99270

smiles

  • O1[C@H]([C@@H]([C@H](C=C1C(=O)[O-])O)OS([O-])(=O)=O)O[C@H]2[C@@H]([C@H]([C@H](O[C@@H]2CO)O)NS([O-])(=O)=O)O

subset

  • 3_STAR

synonym EXACT

  • 2-deoxy-4-O-(4-deoxy-2-O-sulfonato-alpha-L-threo-hex-4-enopyranuronosyl)-2-(sulfonatoamino)-alpha-D-glucopyranose

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:42917

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