Difference between revisions of "CPD-7222"

Latest revision as of 11:16, 18 March 2021

common-name:
- (2e)-dodec-2-enoyl-coa
smiles:
- cccccccccc=cc(sccnc(ccnc(c(c(cop(op(occ3(oc(n2(c1(=c(c(=nc=n1)n)n=c2)))c(c3op([o-])([o-])=o)o))([o-])=o)([o-])=o)(c)c)o)=o)=o)=o
inchi-key:
- irfyvbulxzmede-xcfippspsa-j
molecular-weight:
- 943.792

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite Alkyl-Hydro-Peroxides ==
+== Metabolite CPD-7222 ==
 * common-name:
-** an organic hydroperoxide
+** (2e)-dodec-2-enoyl-coa
+* smiles:
+** cccccccccc=cc(sccnc(ccnc(c(c(cop(op(occ3(oc(n2(c1(=c(c(=nc=n1)n)n=c2)))c(c3op([o-])([o-])=o)o))([o-])=o)([o-])=o)(c)c)o)=o)=o)=o
+* inchi-key:
+** irfyvbulxzmede-xcfippspsa-j
+* molecular-weight:
+** 943.792
 == Reaction(s) known to consume the compound ==
-* [[1.11.1.15-RXN]]
+* [[ECOAH5]]
-* [[RXN0-5468]]
+* [[ECOAH5h]]
+* [[ECOAH5m]]
+* [[RXN-14262]]
+* [[RXN-7931]]
 == Reaction(s) known to produce the compound ==
+* [[ACOA120OR]]
+* [[ECOAH5]]
+* [[ECOAH5h]]
+* [[ECOAH5m]]
+* [[RXN-14262]]
+* [[RXN-7931]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=an organic hydroperoxide}}
+{{#set: common-name=(2e)-dodec-2-enoyl-coa}}
+{{#set: inchi-key=inchikey=irfyvbulxzmede-xcfippspsa-j}}
+{{#set: molecular-weight=943.792}}