Difference between revisions of "CPD-9066"

Latest revision as of 11:15, 18 March 2021

smiles:
- ccc5(c(c)c9(n6([mg]27(n1(c(c(c)c(ccc(=o)[o-])c=1c4([c-](c(oc)=o)c(=o)c3(=c(c)c(n2c3=4)=cc5=6)))=cc8(=c(c)c(c(c)=o)=c(n78)c=9))))))
common-name:
- bacteriochlorophyllide a
molecular-weight:
- 630.982

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite 2-METHYL-ACETO-ACETYL-COA ==
+== Metabolite CPD-9066 ==
+* smiles:
+** ccc5(c(c)c9(n6([mg]27(n1(c(c(c)c(ccc(=o)[o-])c=1c4([c-](c(oc)=o)c(=o)c3(=c(c)c(n2c3=4)=cc5=6)))=cc8(=c(c)c(c(c)=o)=c(n78)c=9))))))
 * common-name:
-** 2-methylacetoacetyl-coa
+** bacteriochlorophyllide a
-* smiles:
-** cc(c(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-])=o)c(=o)c
-* inchi-key:
-** nhnodhrscralbf-nqnbqjknsa-j
 * molecular-weight:
-** 861.604
+** 630.982
 == Reaction(s) known to consume the compound ==
-* [[1.1.1.178-RXN]]
+* [[RXN-8788]]
-* [[ACCAT]]
-* [[HMNOS]]
-* [[METHYLACETOACETYLCOATHIOL-RXN]]
 == Reaction(s) known to produce the compound ==
-* [[1.1.1.178-RXN]]
-* [[HMNOS]]
-* [[METHYLACETOACETYLCOATHIOL-RXN]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=2-methylacetoacetyl-coa}}
+{{#set: common-name=bacteriochlorophyllide a}}
-{{#set: inchi-key=inchikey=nhnodhrscralbf-nqnbqjknsa-j}}
+{{#set: molecular-weight=630.982}}
-{{#set: molecular-weight=861.604}}