Difference between revisions of "CPD0-2123"

Latest revision as of 19:35, 17 March 2021

common-name:
- 3-oxodecanoyl-coa
molecular-weight:
- 931.738
inchi-key:
- azcvxmaplhsiky-hsjnekgzsa-j
smiles:
- cccccccc(=o)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-]

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD-9048 ==
+== Metabolite CPD0-2123 ==
 * common-name:
-** cobalt-precorrin-7
+** 3-oxodecanoyl-coa
 * molecular-weight:
-** 917.827
+** 931.738
 * inchi-key:
-** gpkqhtavldbecx-lbshsciksa-f
+** azcvxmaplhsiky-hsjnekgzsa-j
 * smiles:
-** cc6(c7(c(c([ch]8(c2(n1([co--]4([n+]3(=c(c=c1c(ccc([o-])=o)c(cc(=o)[o-])(c)2)c(c(ccc(=o)[o-])=c3cc5(c(=c(ccc(=o)[o-])c(=[n+]45)6)c)c)(cc(=o)[o-])c))[n+]=78))c))cc(=o)[o-])(c)ccc(=o)[o-]))
+** cccccccc(=o)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-]
 == Reaction(s) known to consume the compound ==
-* [[RXN-8767]]
+* [[RXN-13617]]
 == Reaction(s) known to produce the compound ==
-* [[RXN-8766]]
+* [[RXN-12490]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=cobalt-precorrin-7}}
+{{#set: common-name=3-oxodecanoyl-coa}}
-{{#set: molecular-weight=917.827}}
+{{#set: molecular-weight=931.738}}
-{{#set: inchi-key=inchikey=gpkqhtavldbecx-lbshsciksa-f}}
+{{#set: inchi-key=inchikey=azcvxmaplhsiky-hsjnekgzsa-j}}