Difference between revisions of "ACRYLYL-COA"

Latest revision as of 11:12, 18 March 2021

common-name:
- acryloyl-coa
smiles:
- c=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-]
inchi-key:
- poodsgumucvrtr-iexphmlfsa-j
molecular-weight:
- 817.551

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD-11412 ==
+== Metabolite ACRYLYL-COA ==
 * common-name:
-** triiodothyroacetate ester glucuronide
+** acryloyl-coa
 * smiles:
-** c(oc1(c(o)c(o)c(o)c(c(=o)[o-])o1))(=o)cc2(c=c(i)c(=c(i)c=2)oc3(=cc(i)=c(o)c=c3))
+** c=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-]
 * inchi-key:
-** fpejnmnxcsitjo-kfyubchvsa-m
+** poodsgumucvrtr-iexphmlfsa-j
 * molecular-weight:
-** 797.054
+** 817.551
 == Reaction(s) known to consume the compound ==
+* [[PPCOAOm]]
+* [[RXN-6383]]
 == Reaction(s) known to produce the compound ==
-* [[RXN-10618]]
+* [[PPCOAOm]]
+* [[RXN-6383]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=triiodothyroacetate ester glucuronide}}
+{{#set: common-name=acryloyl-coa}}
-{{#set: inchi-key=inchikey=fpejnmnxcsitjo-kfyubchvsa-m}}
+{{#set: inchi-key=inchikey=poodsgumucvrtr-iexphmlfsa-j}}
-{{#set: molecular-weight=797.054}}
+{{#set: molecular-weight=817.551}}