OntologieschebiclassesCHEBI:18306   
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thiamine(1+) carboxylic acid
http://purl.obolibrary.org/obo/CHEBI_18306

A monocarboxylic acid that is thiamine(1+) which carries an oxo group at position 2.

Also appears inmicroslmgo
Exact Synonyms
3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(carboxymethyl)-4-methyl-1,3-thiazol-3-ium
Related Synonyms
3-(2'-methyl-4'-amino-5'-pyrimidylmethyl)-4-methylthiazol-5-acetic acid
3-(2'-methyl-4'-amino-5'-pyrimidylmethyl)-4-methylthiazole-5-acetic acid
3-(2-methyl-4-amino-5-pyrimidylmethyl)-4-methylthiazole-5-acetic acid
3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-5-(carboxymethyl)-4-methylthiazolium
thiamin acetic acid
thiamine acetic acid
class Information
charge

+1

formula

C12H15N4O2S

has_obo_namespace

chebi_ontology

inchi

InChI=1S/C12H14N4O2S/c1-7-10(3-11(17)18)19-6-16(7)5-9-4-14-8(2)15-12(9)13/h4,6H,3,5H2,1-2H3,(H2-,13,14,15,17,18)/p+1

inchikey

QNGQHEBFAUOYHC-UHFFFAOYSA-O

in_subset

3_STAR

mass

279.340

monoisotopicmass

279.09102

smiles

CC1=C(CC(O)=O)SC=[N+]1CC1=CN=C(C)N=C1N

class Relations