Difference between revisions of "CPD-9965"

Latest revision as of 11:11, 18 March 2021

common-name:
- icosanoyl-coa
smiles:
- cccccccccccccccccccc(=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:
- jylsvnbjlycssw-ibyujnrcsa-j
molecular-weight:
- 1058.022

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD-479 ==
+== Metabolite CPD-9965 ==
 * common-name:
-** 4-(methylsulfanyl)-2-oxobutanoate
+** icosanoyl-coa
 * smiles:
-** csccc(c([o-])=o)=o
+** cccccccccccccccccccc(=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:
-** sxfsqzdsuwackx-uhfffaoysa-m
+** jylsvnbjlycssw-ibyujnrcsa-j
 * molecular-weight:
-** 147.168
+** 1058.022
 == Reaction(s) known to consume the compound ==
-* [[RXN-14147]]
+* [[RXN-13295]]
+* [[RXN-9356]]
+* [[RXN-9629]]
+* [[RXN1G-460]]
 == Reaction(s) known to produce the compound ==
-* [[R147-RXN]]
+* [[RXN-9356]]
-* [[RXN-14147]]
+* [[RXN1G-460]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=4-(methylsulfanyl)-2-oxobutanoate}}
+{{#set: common-name=icosanoyl-coa}}
-{{#set: inchi-key=inchikey=sxfsqzdsuwackx-uhfffaoysa-m}}
+{{#set: inchi-key=inchikey=jylsvnbjlycssw-ibyujnrcsa-j}}
-{{#set: molecular-weight=147.168}}
+{{#set: molecular-weight=1058.022}}