Difference between revisions of "Cis-vaccenoyl-ACPs"

Revision as of 15:08, 15 March 2021

common-name:
- cobalt-precorrin-6a
molecular-weight:
- 944.787
inchi-key:
- dfffcfupovldtp-iicgdjhvsa-e
smiles:
- cc8(ccc([o-])=o)(c(cc([o-])=o)=c5([n+]2(=c(cc1(c(ccc([o-])=o)=c(cc(=o)[o-])c3(c)([n+]=1[co--]72([n+]4(c(c3)=c(c(c)(cc([o-])=o)c=4c=c6(c(c(c5(c)n67)(c)cc([o-])=o)ccc(=o)[o-]))ccc([o-])=o)))))8)))

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD-15675 ==
+== Metabolite CPD-9043 ==
 * common-name:
-** 2-trans-6-trans-tridecadienoyl-coa
+** cobalt-precorrin-6a
 * molecular-weight:
-** 955.803
+** 944.787
 * inchi-key:
-** oosdlbaxvxkfib-bjbrngjvsa-j
+** dfffcfupovldtp-iicgdjhvsa-e
 * smiles:
-** ccccccc=cccc=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-]
+** cc8(ccc([o-])=o)(c(cc([o-])=o)=c5([n+]2(=c(cc1(c(ccc([o-])=o)=c(cc(=o)[o-])c3(c)([n+]=1[co--]72([n+]4(c(c3)=c(c(c)(cc([o-])=o)c=4c=c6(c(c(c5(c)n67)(c)cc([o-])=o)ccc(=o)[o-]))ccc([o-])=o)))))8)))
 == Reaction(s) known to consume the compound ==
 == Reaction(s) known to produce the compound ==
-* [[RXN-14785]]
+* [[RXN-8764]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=2-trans-6-trans-tridecadienoyl-coa}}
+{{#set: common-name=cobalt-precorrin-6a}}
-{{#set: molecular-weight=955.803}}
+{{#set: molecular-weight=944.787}}
-{{#set: inchi-key=inchikey=oosdlbaxvxkfib-bjbrngjvsa-j}}
+{{#set: inchi-key=inchikey=dfffcfupovldtp-iicgdjhvsa-e}}