Difference between revisions of "CPD-12199"

Latest revision as of 11:12, 18 March 2021

common-name:
- 3s-(4-hydroxyphenyl)-3-hydroxy-propanoyl-coa
smiles:
- cc(c)(c(o)c(=o)nccc(=o)nccsc(=o)cc(o)c1(=cc=c(o)c=c1))cop(=o)(op(=o)(occ2(c(op([o-])(=o)[o-])c(o)c(o2)n4(c3(=c(c(n)=nc=n3)n=c4))))[o-])[o-]
inchi-key:
- vddfxumtxcqmfm-ugdqnksbsa-j
molecular-weight:
- 927.663

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite TROPINE ==
+== Metabolite CPD-12199 ==
 * common-name:
-** tropine
+** 3s-(4-hydroxyphenyl)-3-hydroxy-propanoyl-coa
 * smiles:
-** c[n+]1(c2(ccc1cc(o)c2))
+** cc(c)(c(o)c(=o)nccc(=o)nccsc(=o)cc(o)c1(=cc=c(o)c=c1))cop(=o)(op(=o)(occ2(c(op([o-])(=o)[o-])c(o)c(o2)n4(c3(=c(c(n)=nc=n3)n=c4))))[o-])[o-]
 * inchi-key:
-** cyhomwapjjpnmw-jigdxuljsa-o
+** vddfxumtxcqmfm-ugdqnksbsa-j
 * molecular-weight:
-** 142.22
+** 927.663
 == Reaction(s) known to consume the compound ==
-* [[TROPINE-DEHYDROGENASE-RXN]]
+* [[RXN-11245]]
 == Reaction(s) known to produce the compound ==
-* [[TROPINE-DEHYDROGENASE-RXN]]
+* [[RXN-11244]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=tropine}}
+{{#set: common-name=3s-(4-hydroxyphenyl)-3-hydroxy-propanoyl-coa}}
-{{#set: inchi-key=inchikey=cyhomwapjjpnmw-jigdxuljsa-o}}
+{{#set: inchi-key=inchikey=vddfxumtxcqmfm-ugdqnksbsa-j}}
-{{#set: molecular-weight=142.22}}
+{{#set: molecular-weight=927.663}}