Difference between revisions of "CPD-18346"

Latest revision as of 19:37, 17 March 2021

common-name:
- cis-vaccenoyl-coa
molecular-weight:
- 1027.953
inchi-key:
- hejoxxlscaqqgq-saiinbspsa-j
smiles:
- ccccccc=ccccccccccc(=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

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD-15366 ==
+== Metabolite CPD-18346 ==
 * common-name:
-** lesqueroloyl-coa
+** cis-vaccenoyl-coa
 * molecular-weight:
-** 1072.006
+** 1027.953
 * inchi-key:
-** jjyivzkvzzsdmc-gxvfdtdksa-j
+** hejoxxlscaqqgq-saiinbspsa-j
 * smiles:
-** ccccccc(o)cc=ccccccccccc(=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-]
+** ccccccc=ccccccccccc(=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
 == Reaction(s) known to consume the compound ==
-* [[RXN-16152]]
 == Reaction(s) known to produce the compound ==
+* [[RXN0-7238]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=lesqueroloyl-coa}}
+{{#set: common-name=cis-vaccenoyl-coa}}
-{{#set: molecular-weight=1072.006}}
+{{#set: molecular-weight=1027.953}}
-{{#set: inchi-key=inchikey=jjyivzkvzzsdmc-gxvfdtdksa-j}}
+{{#set: inchi-key=inchikey=hejoxxlscaqqgq-saiinbspsa-j}}