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 ADENOSYLCOBINAMIDE ==
+== Metabolite CPD-9406 ==
 * common-name:
-** adenosylcobinamide
+** (2s)-ethylmalonyl-coa
 * smiles:
-** c[ch](cnc(ccc4(c8(n3([co--]17([n+]5(c(=c(c)c2(=[n+]1c(c(c2ccc(n)=o)(cc(=o)n)c)(c)[ch]3c(cc(=o)n)4))c(c(ccc(=o)n)c=5c=c6(c(c)(c)c(ccc(=o)n)c(=[n+]67)c=8c))(cc(=o)n)c))cc9(oc(c(o)c(o)9)n%11(c=nc%10(=c(n)n=cn=c%10%11))))))c)=o)o
+** 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:
-** kqxspgaebzwhmc-vucsarqqsa-m
+** vugzqvcbbbezqe-uqcjfraesa-i
 * molecular-weight:
-** 1240.332
+** 876.595
 == Reaction(s) known to consume the compound ==
+* [[RXN-13029]]
 == Reaction(s) known to produce the compound ==
-* [[BTUR2-RXN]]
+* [[RXN-13029]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=adenosylcobinamide}}
+{{#set: common-name=(2s)-ethylmalonyl-coa}}
-{{#set: inchi-key=inchikey=kqxspgaebzwhmc-vucsarqqsa-m}}
+{{#set: inchi-key=inchikey=vugzqvcbbbezqe-uqcjfraesa-i}}
-{{#set: molecular-weight=1240.332}}
+{{#set: molecular-weight=876.595}}