Difference between revisions of "BENZOYLSUCCINYL-COA"

Latest revision as of 11:12, 18 March 2021

common-name:
- benzoylsuccinyl-coa
smiles:
- cc(c)(c(o)c(=o)nccc(=o)nccsc(=o)c(c(=o)c1(=cc=cc=c1))cc(=o)[o-])cop(=o)(op(=o)(occ2(c(op([o-])(=o)[o-])c(o)c(o2)n4(c3(=c(c(n)=nc=n3)n=c4))))[o-])[o-]
inchi-key:
- sgnpjinsckfitg-ihebcorqsa-i
molecular-weight:
- 966.676

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite SCOPOLIN ==
+== Metabolite BENZOYLSUCCINYL-COA ==
 * common-name:
-** scopolin
+** benzoylsuccinyl-coa
 * smiles:
-** coc2(=cc1(=c(oc(c=c1)=o)c=c2oc3(c(c(c(o)c(co)o3)o)o)))
+** cc(c)(c(o)c(=o)nccc(=o)nccsc(=o)c(c(=o)c1(=cc=cc=c1))cc(=o)[o-])cop(=o)(op(=o)(occ2(c(op([o-])(=o)[o-])c(o)c(o2)n4(c3(=c(c(n)=nc=n3)n=c4))))[o-])[o-]
 * inchi-key:
-** sgtcgccqzoumjj-ymiltqatsa-n
+** sgnpjinsckfitg-ihebcorqsa-i
 * molecular-weight:
-** 354.313
+** 966.676
 == Reaction(s) known to consume the compound ==
-* [[RXN-14179]]
 == Reaction(s) known to produce the compound ==
+* [[RXN-905]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=scopolin}}
+{{#set: common-name=benzoylsuccinyl-coa}}
-{{#set: inchi-key=inchikey=sgtcgccqzoumjj-ymiltqatsa-n}}
+{{#set: inchi-key=inchikey=sgnpjinsckfitg-ihebcorqsa-i}}
-{{#set: molecular-weight=354.313}}
+{{#set: molecular-weight=966.676}}