Difference between revisions of "CPD-9406"

Latest revision as of 11:17, 18 March 2021

common-name:
- (2s)-ethylmalonyl-coa
smiles:
- ccc(c(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-])=o)c([o-])=o
inchi-key:
- vugzqvcbbbezqe-uqcjfraesa-i
molecular-weight:
- 876.595

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite ERGOSTEROL ==
+== Metabolite CPD-9406 ==
 * common-name:
-** ergosterol
+** (2s)-ethylmalonyl-coa
 * smiles:
-** cc(c)c(c)c=cc(c)[ch]3(cc[ch]4(c2(=cc=c1(cc(o)ccc(c)1[ch]2ccc(c)34))))
+** ccc(c(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-])=o)c([o-])=o
 * inchi-key:
-** dnvpqkqsnymlrs-apgdwvjjsa-n
+** vugzqvcbbbezqe-uqcjfraesa-i
 * molecular-weight:
-** 396.655
+** 876.595
 == Reaction(s) known to consume the compound ==
-* [[RXN-16975]]
+* [[RXN-13029]]
 == Reaction(s) known to produce the compound ==
-* [[RXN-15135]]
+* [[RXN-13029]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=ergosterol}}
+{{#set: common-name=(2s)-ethylmalonyl-coa}}
-{{#set: inchi-key=inchikey=dnvpqkqsnymlrs-apgdwvjjsa-n}}
+{{#set: inchi-key=inchikey=vugzqvcbbbezqe-uqcjfraesa-i}}
-{{#set: molecular-weight=396.655}}
+{{#set: molecular-weight=876.595}}