Difference between revisions of "SHIKIMATE-5P"

Revision as of 14:57, 5 January 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-17368 ==
+== Metabolite CPD-611 ==
 * common-name:
-** trans-adre-2-enoyl-coa
+** thiamine triphosphate
 * smiles:
-** cccccc=ccc=ccc=ccc=ccccc=cc(=o)sccnc(=o)ccnc(=o)c(o)c(c)(c)cop(=o)(op(=o)(occ1(c(op([o-])(=o)[o-])c(o)c(o1)n3(c2(=c(c(n)=nc=n2)n=c3))))[o-])[o-]
+** cc1([n+](=csc(ccop([o-])(=o)op([o-])(=o)op([o-])(=o)[o-])=1)cc2(c=nc(c)=nc(n)=2))
 * inchi-key:
-** xsibquoflnivek-xpbiuritsa-j
+** iwlrowzyzpnofc-uhfffaoysa-k
 * molecular-weight:
-** 1075.997
+** 501.26
 == Reaction(s) known to consume the compound ==
+* [[THIAMIN-TRIPHOSPHATASE-RXN]]
 == Reaction(s) known to produce the compound ==
-* [[RXN-16113]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=trans-adre-2-enoyl-coa}}
+{{#set: common-name=thiamine triphosphate}}
-{{#set: inchi-key=inchikey=xsibquoflnivek-xpbiuritsa-j}}
+{{#set: inchi-key=inchikey=iwlrowzyzpnofc-uhfffaoysa-k}}
-{{#set: molecular-weight=1075.997}}
+{{#set: molecular-weight=501.26}}