Difference between revisions of "CPD-611"

Latest revision as of 11:15, 18 March 2021

common-name:
- thiamine triphosphate
smiles:
- cc1([n+](=csc(ccop([o-])(=o)op([o-])(=o)op([o-])(=o)[o-])=1)cc2(c=nc(c)=nc(n)=2))
inchi-key:
- iwlrowzyzpnofc-uhfffaoysa-k
molecular-weight:
- 501.26

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD-9067 ==
+== Metabolite CPD-611 ==
+* common-name:
+** thiamine triphosphate
 * smiles:
-** ccc5(c(c)c9(n6([mg]27(n1(c(c(c)c(ccc(=o)occ=c(c)cccc(c)cccc(c)cccc(c)c)c=1c4([c-](c(oc)=o)c(=o)c3(=c(c)c(n2c3=4)=cc5=6)))=cc8(=c(c)c(c(c)=o)=c(n78)c=9))))))
+** cc1([n+](=csc(ccop([o-])(=o)op([o-])(=o)op([o-])(=o)[o-])=1)cc2(c=nc(c)=nc(n)=2))
-* common-name:
+* inchi-key:
-** bacteriochlorophyll a
+** iwlrowzyzpnofc-uhfffaoysa-k
 * molecular-weight:
-** 910.51
+** 501.26
 == Reaction(s) known to consume the compound ==
-* [[RXN-8791]]
+* [[THIAMIN-TRIPHOSPHATASE-RXN]]
 == Reaction(s) known to produce the compound ==
-* [[RXN-17426]]
-* [[RXN-8791]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=bacteriochlorophyll a}}
+{{#set: common-name=thiamine triphosphate}}
-{{#set: molecular-weight=910.51}}
+{{#set: inchi-key=inchikey=iwlrowzyzpnofc-uhfffaoysa-k}}
+{{#set: molecular-weight=501.26}}