Difference between revisions of "SHIKIMATE-5P"

Revision as of 15:28, 5 January 2021

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))))))
common-name:
- bacteriochlorophyll a
molecular-weight:
- 910.51

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD-611 ==
+== Metabolite CPD-9067 ==
+* 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))))))
 * common-name:
-** thiamine triphosphate
+** bacteriochlorophyll a
-* 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
+** 910.51
 == Reaction(s) known to consume the compound ==
-* [[THIAMIN-TRIPHOSPHATASE-RXN]]
+* [[RXN-8791]]
 == Reaction(s) known to produce the compound ==
+* [[RXN-17426]]
+* [[RXN-8791]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=thiamine triphosphate}}
+{{#set: common-name=bacteriochlorophyll a}}
-{{#set: inchi-key=inchikey=iwlrowzyzpnofc-uhfffaoysa-k}}
+{{#set: molecular-weight=910.51}}
-{{#set: molecular-weight=501.26}}