Difference between revisions of "CPD-14275"

Latest revision as of 11:12, 18 March 2021

common-name:
- (3r)-3-hydroxy-arachidoyl-coa
smiles:
- cccccccccccccccccc(o)cc(=o)sccnc(=o)ccnc(c(o)c(c)(c)cop([o-])(=o)op([o-])(=o)occ1(c(op(=o)([o-])[o-])c(o)c(o1)n3(c=nc2(c(n)=nc=nc=23))))=o
inchi-key:
- knsvymfejlujst-afmyzwiisa-j
molecular-weight:
- 1074.021

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite S-ADENOSYL-4-METHYLTHIO-2-OXOBUTANOATE ==
+== Metabolite CPD-14275 ==
 * common-name:
-** s-adenosyl-4-methylthio-2-oxobutanoate
+** (3r)-3-hydroxy-arachidoyl-coa
 * smiles:
-** c[s+](ccc(c([o-])=o)=o)cc1(oc(c(c1o)o)n3(c2(=nc=nc(=c2n=c3)n)))
+** cccccccccccccccccc(o)cc(=o)sccnc(=o)ccnc(c(o)c(c)(c)cop([o-])(=o)op([o-])(=o)occ1(c(op(=o)([o-])[o-])c(o)c(o1)n3(c=nc2(c(n)=nc=nc=23))))=o
 * inchi-key:
-** uokvqqmbgvmxpu-cjpdyehrsa-n
+** knsvymfejlujst-afmyzwiisa-j
 * molecular-weight:
-** 397.405
+** 1074.021
 == Reaction(s) known to consume the compound ==
-* [[DAPASYN-RXN]]
+* [[RXN-13302]]
 == Reaction(s) known to produce the compound ==
-* [[DAPASYN-RXN]]
+* [[RXN-13298]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=s-adenosyl-4-methylthio-2-oxobutanoate}}
+{{#set: common-name=(3r)-3-hydroxy-arachidoyl-coa}}
-{{#set: inchi-key=inchikey=uokvqqmbgvmxpu-cjpdyehrsa-n}}
+{{#set: inchi-key=inchikey=knsvymfejlujst-afmyzwiisa-j}}
-{{#set: molecular-weight=397.405}}
+{{#set: molecular-weight=1074.021}}