skip to main content

Content language

Contact us: CRM@email.irandoc.ac.ir

Concept information

Preferred term

tetrodotoxin  

Type

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

charge

  • 0

formula

  • C11H17N3O8

inchi

  • InChI=1S/C11H17N3O8/c12-8-13-6(17)2-4-9(19,1-15)5-3(16)10(2,14-8)7(18)11(20,21-4)22-5/h2-7,15-20H,1H2,(H3,12,13,14)/t2-,3+,4-,5+,6-,7+,9+,10-,11+/m1/s1

inchikey

  • CFMYXEVWODSLAX-QYIGHCJRSA-N

is_conjugate_base_of

mass

  • 319.26800

monoisotopicmass

  • 319.10156

smiles

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

subset

  • 3_STAR

synonym EXACT

  • (1R,5R,6R,7R,9S,11R,12R,13S,14S)-14-(hydroxymethyl)-3-imino-8,10-dioxa-2,4-diazatetracyclo[7.3.1.1(7,11).0(1,6)]tetradecane-5,9,12,13,14-pentol
  • Tetrodotoxin

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:9506

Download this concept: