Difference between revisions of "CPD0-2106"

Latest revision as of 11:17, 18 March 2021

common-name:
- 3-oxooctanoyl-coa
smiles:
- cccccc(=o)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:
- wpivbcgrgvnddt-cecatxlmsa-j
molecular-weight:
- 903.684

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD1G-120 ==
+== Metabolite CPD0-2106 ==
 * common-name:
-** deacetylmycothiol
+** 3-oxooctanoyl-coa
 * smiles:
-** c(o)c2(c(c(c(nc(=o)c([n+])cs)c(oc1(c(o)c(o)c(o)c(o)c(o)1))o2)o)o)
+** cccccc(=o)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:
-** zgxscmbzzvxwgf-bseffjthsa-o
+** wpivbcgrgvnddt-cecatxlmsa-j
 * molecular-weight:
-** 445.461
+** 903.684
 == Reaction(s) known to consume the compound ==
+* [[RXN-13279-CPD-14916/NADP//CPD0-2106/NADPH/PROTON.39.]]
+* [[RXN-14277]]
 == Reaction(s) known to produce the compound ==
-* [[RXN1G-121]]
+* [[RXN-13279-CPD-14916/NADP//CPD0-2106/NADPH/PROTON.39.]]
+* [[RXN-14275]]
+* [[RXN-14277]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=deacetylmycothiol}}
+{{#set: common-name=3-oxooctanoyl-coa}}
-{{#set: inchi-key=inchikey=zgxscmbzzvxwgf-bseffjthsa-o}}
+{{#set: inchi-key=inchikey=wpivbcgrgvnddt-cecatxlmsa-j}}
-{{#set: molecular-weight=445.461}}
+{{#set: molecular-weight=903.684}}