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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 > organonitrogen compound > amino-acid derivative > arginine derivative > microguanidine al772

Preferred term

microguanidine al772  

Type

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

Broader concept

charge

  • +1

formula

  • C29H49N4O14S3

inchi

  • InChI=1S/C29H48N4O14S3/c1-20(2)10-8-11-21(3)15-17-32(29(30)31)16-9-12-25(33(5,6)7)28(34)45-22(4)27(47-50(41,42)43)23-13-14-26(46-49(38,39)40)24(18-23)19-44-48(35,36)37/h10,13-15,18,22,25,27H,8-9,11-12,16-17,19H2,1-7H3,(H5-,30,31,35,36,37,38,39,40,41,42,43)/p+1/b21-15+

inchikey

  • BHXZESJHQKTKGS-RCCKNPSSSA-O

mass

  • 773.900

monoisotopicmass

  • 773.24019

smiles

  • S(=O)(=O)(OC1=C(C=C(C(OS(=O)(=O)O)C(OC(=O)C([N+](C)(C)C)CCCN(C(=N)N)C/C=C(/CCC=C(C)C)/C)C)C=C1)COS(=O)(=O)O)O

subset

  • 2_STAR

synonym EXACT

  • [5-[carbamimidoyl-[(2E)-3,7-dimethylocta-2,6-dienyl]amino]-1-oxo-1-[1-sulooxy-1-[4-sulooxy-3-(sulooxymethyl)phenyl]propan-2-yl]oxypentan-2-yl]-trimethylazanium

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:223441

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