Difference between revisions of "34-DEHYDRO-14-THIOMORPHOLINE-3-CARBOXY"

Revision as of 18:56, 14 January 2021

common-name:
- 3-oxododecanoyl-coa
smiles:
- cccccccccc(=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:
- hqanbzhvwidnqz-gmhmeamdsa-j
molecular-weight:
- 959.791

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPDQT-38 ==
+== Metabolite CPD0-2105 ==
 * common-name:
-** 3-[(5'-methylthio)pentyl]malate
+** 3-oxododecanoyl-coa
 * smiles:
-** cscccccc(c(o)c(=o)[o-])c(=o)[o-]
+** cccccccccc(=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:
-** ybisuhxejdgadq-uhfffaoysa-l
+** hqanbzhvwidnqz-gmhmeamdsa-j
 * molecular-weight:
-** 248.293
+** 959.791
 == Reaction(s) known to consume the compound ==
-* [[RXN-18204]]
+* [[HACD5]]
-* [[RXNQT-4171]]
+* [[HACD5h]]
+* [[HACD5m]]
+* [[RXN-14274]]
 == Reaction(s) known to produce the compound ==
-* [[RXN-18204]]
+* [[HACD5]]
+* [[HACD5h]]
+* [[HACD5m]]
+* [[RXN-14274]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=3-[(5'-methylthio)pentyl]malate}}
+{{#set: common-name=3-oxododecanoyl-coa}}
-{{#set: inchi-key=inchikey=ybisuhxejdgadq-uhfffaoysa-l}}
+{{#set: inchi-key=inchikey=hqanbzhvwidnqz-gmhmeamdsa-j}}
-{{#set: molecular-weight=248.293}}
+{{#set: molecular-weight=959.791}}