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This is an old revision of this page, as edited by Beetstra (talk | contribs) at 12:56, 10 January 2012 (Saving copy of the {{chembox}} taken from revid 444225047 of page Thiamine_monophosphate for the Chem/Drugbox validation project (updated: 'CASNo').). The present address (URL) is a permanent link to this revision, which may differ significantly from the current revision.

Revision as of 12:56, 10 January 2012 by Beetstra (talk | contribs) (Saving copy of the {{chembox}} taken from revid 444225047 of page Thiamine_monophosphate for the Chem/Drugbox validation project (updated: 'CASNo').)(diff) ← Previous revision | Latest revision (diff) | Newer revision → (diff)
This page contains a copy of the infobox ({{chembox}}) taken from revid 444225047 of page Thiamine_monophosphate with values updated to verified values.
WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Identifiers
3D model (JSmol)
ChEBI
ChemSpider
MeSH Thiamine+Monophosphate
PubChem CID
InChI
  • InChI=1S/C12H17N4O4PS.ClH/c1-8-11(3-4-20-21(17,18)19)22-7-16(8)6-10-5-14-9(2)15-12(10)13;/h5,7H,3-4,6H2,1-2H3,(H3-,13,14,15,17,18,19);1HKey: GUGWNSHJDUEHNJ-UHFFFAOYSA-N
  • InChI=1/C12H17N4O4PS.ClH/c1-8-11(3-4-20-21(17,18)19)22-7-16(8)6-10-5-14-9(2)15-12(10)13;/h5,7H,3-4,6H2,1-2H3,(H3-,13,14,15,17,18,19);1HKey: GUGWNSHJDUEHNJ-UHFFFAOYAK
SMILES
  • Cc1c(sc1Cc2cnc(nc2N)C)CCOP(=O)(O)O.
Properties
Chemical formula C12H18N4O4PS+
Molar mass 345.336 g/mol
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). checkY verify (what is  ?) Infobox references
Tracking categories (test):
Chemical compound