Difference between revisions of "Core1"

Revision as of 13:13, 14 January 2021

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD-19042 ==
+== Metabolite THIAMINE-PYROPHOSPHATE ==
 * common-name:
-** 2-hydroxyisobutyramide
+** thiamine diphosphate
 * smiles:
-** cc(o)(c)c(=o)n
+** cc1([n+](=csc(ccop([o-])(=o)op([o-])(=o)[o-])=1)cc2(c=nc(c)=nc(n)=2))
 * inchi-key:
-** drymmxubdrjpds-uhfffaoysa-n
+** ayekofbpnlcajy-uhfffaoysa-l
 * molecular-weight:
-** 103.121
+** 422.288
 == Reaction(s) known to consume the compound ==
-* [[RXN-17608]]
+* [[RXN-12583]]
+* [[RXN-14037]]
+* [[RXN0-3542]]
 == Reaction(s) known to produce the compound ==
+* [[PDHam2hi]]
+* [[PDHam2mi]]
+* [[RXN-12508]]
+* [[RXN-14037]]
+* [[RXN0-3542]]
+* [[THIAMIN-PYROPHOSPHOKINASE-RXN]]
+* [[THIAMIN-TRIPHOSPHATASE-RXN]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=2-hydroxyisobutyramide}}
+{{#set: common-name=thiamine diphosphate}}
-{{#set: inchi-key=inchikey=drymmxubdrjpds-uhfffaoysa-n}}
+{{#set: inchi-key=inchikey=ayekofbpnlcajy-uhfffaoysa-l}}
-{{#set: molecular-weight=103.121}}
+{{#set: molecular-weight=422.288}}