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Chemistry, part 3

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > octotiamine

Preferred term

octotiamine  

Type

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

Broader concept

charge

  • 0

formula

  • C23H36N4O5S3

inchi

  • InChI=1S/C23H36N4O5S3/c1-16(27(15-29)14-19-13-25-17(2)26-23(19)24)21(9-11-28)35-33-12-10-20(34-18(3)30)7-5-6-8-22(31)32-4/h13,15,20,28H,5-12,14H2,1-4H3,(H2,24,25,26)

inchikey

  • VJTXQHYNRDGLON-UHFFFAOYSA-N

mass

  • 544.755

monoisotopicmass

  • 544.18478

smiles

  • N=1C=C(C(=NC1C)N)CN(C(=C(CCO)SSCCC(CCCCC(OC)=O)SC(C)=O)C)C=O

subset

  • 2_STAR

synonym EXACT

  • Octotiamine

synonym RELATED

  • neuvitan

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:31930

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