Difference between revisions of "CPD-18550"

Latest revision as of 11:13, 18 March 2021

common-name:
- quinoxaline-2-carboxyl adenylate
smiles:
- c(c3(c(c(c(n2(c1(=c(c(=nc=n1)n)n=c2)))o3)o)o))op(oc(=o)c4(c=nc5(=cc=cc=c(n=4)5)))([o-])=o
inchi-key:
- vmjweicpcdrxql-scfuhwhpsa-m
molecular-weight:
- 502.359

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite APS ==
+== Metabolite CPD-18550 ==
 * common-name:
-** adenosine 5'-phosphosulfate
+** quinoxaline-2-carboxyl adenylate
 * smiles:
-** c(c3(c(c(c(n2(c1(=c(c(=nc=n1)n)n=c2)))o3)o)o))op(os(=o)([o-])=o)([o-])=o
+** c(c3(c(c(c(n2(c1(=c(c(=nc=n1)n)n=c2)))o3)o)o))op(oc(=o)c4(c=nc5(=cc=cc=c(n=4)5)))([o-])=o
 * inchi-key:
-** irlpacmltupbcl-kqynxxcusa-l
+** vmjweicpcdrxql-scfuhwhpsa-m
 * molecular-weight:
-** 425.266
+** 502.359
 == Reaction(s) known to consume the compound ==
-* [[1.8.4.9-RXN]]
+* [[RXN-17155]]
-* [[ADENYLYLSULFATASE-RXN]]
-* [[ADENYLYLSULFATE-REDUCTASE-RXN]]
-* [[ADENYLYLSULFKIN-RXN]]
-* [[R163-RXN]]
-* [[RXN-12019]]
-* [[SULFATE-ADENYLYLTRANS-RXN]]
-* [[SULFATE-ADENYLYLTRANSFERASE-ADP-RXN]]
 == Reaction(s) known to produce the compound ==
-* [[ADENYLYLSULFATE-REDUCTASE-RXN]]
-* [[ADENYLYLSULFKIN-RXN]]
-* [[R163-RXN]]
-* [[SULFATE-ADENYLYLTRANS-RXN]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=adenosine 5'-phosphosulfate}}
+{{#set: common-name=quinoxaline-2-carboxyl adenylate}}
-{{#set: inchi-key=inchikey=irlpacmltupbcl-kqynxxcusa-l}}
+{{#set: inchi-key=inchikey=vmjweicpcdrxql-scfuhwhpsa-m}}
-{{#set: molecular-weight=425.266}}
+{{#set: molecular-weight=502.359}}