Difference between revisions of "RXN-10658"

Revision as of 17:48, 22 September 2020

common-name:
- (2e,9z)-octadecenoyl-coa
inchi-key:
- reoymonhghuley-ppsvnwdxsa-j
molecular-weight:
- 1025.937
smiles:
- ccccccccc=ccccccc=cc(=o)sccnc(=o)ccnc(=o)[c@h](o)c(c)(c)cop(=o)(op(=o)(oc[c@h]1([c@@h](op([o-])(=o)[o-])[c@@h](o)[c@@h](o1)n2(c3(n=cn=c(c(n=c2)=3)n))))[o-])[o-]

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD-690 ==
+== Metabolite CPD-19172 ==
 * common-name:
-** adenosyl-cob(iii)yrinate a,c-diamide
+** (2e,9z)-octadecenoyl-coa
 * inchi-key:
-** ocnljczkghkjgf-nqyrmhkhsa-h
+** reoymonhghuley-ppsvnwdxsa-j
 * molecular-weight:
-** 1182.137
+** 1025.937
 * smiles:
-** cc3(/c7(=[n+]8([co--]15([n+]4([c@@](c)([c@@h]2([c@h](cc(=o)[o-])[c@@](c)(ccc([o-])=o)c(/n12)=3))[c@@](c)(cc(n)=o)[c@h](ccc([o-])=o)c=4c(\c)=c6([c@@](c)(cc(n)=o)[c@h](ccc([o-])=o)c(=[n+]56)c=c(c(c)(c)[c@h](ccc([o-])=o)7)8)))(c[c@h]9([c@h]([c@@h](o)[c@@h](o9)n%10(c=nc%11(c(=nc=nc%10=%11)n)))o)))))
+** ccccccccc=ccccccc=cc(=o)sccnc(=o)ccnc(=o)[c@h](o)c(c)(c)cop(=o)(op(=o)(oc[c@h]1([c@@h](op([o-])(=o)[o-])[c@@h](o)[c@@h](o1)n2(c3(n=cn=c(c(n=c2)=3)n))))[o-])[o-]
 == Reaction(s) known to consume the compound ==
-* [[R345-RXN]]
 == Reaction(s) known to produce the compound ==
-* [[R344-RXN]]
+* [[RXN-17775]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=adenosyl-cob(iii)yrinate a,c-diamide}}
+{{#set: common-name=(2e,9z)-octadecenoyl-coa}}
-{{#set: inchi-key=inchikey=ocnljczkghkjgf-nqyrmhkhsa-h}}
+{{#set: inchi-key=inchikey=reoymonhghuley-ppsvnwdxsa-j}}
-{{#set: molecular-weight=1182.137}}
+{{#set: molecular-weight=1025.937}}