Difference between revisions of "CPD-194"

Revision as of 13:09, 14 January 2021

common-name:
- (2e,9z)-hexadecenoyl-coa
smiles:
- ccccccc=ccccccc=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:
- beqwcbbskhmrca-henmzmgosa-j
molecular-weight:
- 997.883

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD-18550 ==
+== Metabolite CPD-19162 ==
 * common-name:
-** quinoxaline-2-carboxyl adenylate
+** (2e,9z)-hexadecenoyl-coa
 * smiles:
-** c(c3(c(c(c(n2(c1(=c(c(=nc=n1)n)n=c2)))o3)o)o))op(oc(=o)c4(c=nc5(=cc=cc=c(n=4)5)))([o-])=o
+** ccccccc=ccccccc=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:
-** vmjweicpcdrxql-scfuhwhpsa-m
+** beqwcbbskhmrca-henmzmgosa-j
 * molecular-weight:
-** 502.359
+** 997.883
 == Reaction(s) known to consume the compound ==
-* [[RXN-17155]]
+* [[RXN-17789]]
 == Reaction(s) known to produce the compound ==
+* [[RXN-17788]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=quinoxaline-2-carboxyl adenylate}}
+{{#set: common-name=(2e,9z)-hexadecenoyl-coa}}
-{{#set: inchi-key=inchikey=vmjweicpcdrxql-scfuhwhpsa-m}}
+{{#set: inchi-key=inchikey=beqwcbbskhmrca-henmzmgosa-j}}
-{{#set: molecular-weight=502.359}}
+{{#set: molecular-weight=997.883}}